#METABOLOMICS WORKBENCH my265_20220601_021049 DATATRACK_ID:3290 STUDY_ID:ST002199 ANALYSIS_ID:AN003599 PROJECT_ID:PR001402 VERSION 1 CREATED_ON June 15, 2022, 5:34 pm #PROJECT PR:PROJECT_TITLE FOXA2 controls the anti-oxidant response in FH-deficient cells independent of PR:PROJECT_TITLE NRF2 PR:PROJECT_SUMMARY Hereditary Leiomyomatosis and renal cell cancer is caused by fumarate hydratase PR:PROJECT_SUMMARY loss of heterozygosity and subsequence accumulation of fumarate. Fumarate is PR:PROJECT_SUMMARY known to activate the anti-oxidant response and is key for cellular survival. PR:PROJECT_SUMMARY Fumarate succinates KEAP1 which releases NRF2 to activate the antioxidant PR:PROJECT_SUMMARY response. The role of fumarate on the global regulatory chromatin landscape is PR:PROJECT_SUMMARY less understood. Here, by integrating chromatin accessibility and histone PR:PROJECT_SUMMARY ChIP-seq profiles, we identify complex transcription factor networks involved in PR:PROJECT_SUMMARY the highly remodelled chromatin landscape of FH-deficient cells. We implicate PR:PROJECT_SUMMARY FOXA2 in the maintenance of FH-deficient cells by regulating anti-oxidant PR:PROJECT_SUMMARY response genes and subsequent metabolic output, independent of NRF2. These PR:PROJECT_SUMMARY results identify new redox and amino acid metabolism regulators and provide new PR:PROJECT_SUMMARY avenues for therapeutic intervention. PR:INSTITUTE CECAD Research Center PR:LAST_NAME Yang PR:FIRST_NAME Ming PR:ADDRESS Joseph-Stelzmann-Straße 26, Köln, Koeln, 50931, Germany PR:EMAIL ming.yang@uni-koeln.de PR:PHONE 4922147884306 #STUDY ST:STUDY_TITLE The metabolomics effect of Foxa2 knockdown on FH-deficient cells ST:STUDY_SUMMARY To assess whether there is a functional convergence between the two proteins, we ST:STUDY_SUMMARY performed metabolomics on Fh1fl/fl, Fh1-/-CL1 and Fh1-/-CL19 cells treated with ST:STUDY_SUMMARY either siNT or siFoxa2. 5 x 104 Fh1fl/fl, 1 x 105 Fh1-/-CL1 and 1 x 105 ST:STUDY_SUMMARY Fh1-/-CL19 cells were plated the onto 6-well plate and reverse transfected with ST:STUDY_SUMMARY siRNA. Before extraction, cells were counted using a separate counting plate. ST:STUDY_SUMMARY There are a total of 30 samples prepared from three cell lines and 6 biological ST:STUDY_SUMMARY conditions. ST:INSTITUTE CECAD Research Center ST:LAST_NAME Yang ST:FIRST_NAME Ming ST:ADDRESS Joseph-Stelzmann-Straße 26, Köln, Koeln, 50931, Germany ST:EMAIL ming.yang@uni-koeln.de ST:PHONE 4922147884306 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - CR02_031 Genotype:Fh1fl/fl | Treatment:siNT RAW_FILE_NAME=CR02_031 SUBJECT_SAMPLE_FACTORS - CR02_032 Genotype:Fh1fl/fl | Treatment:siNT RAW_FILE_NAME=CR02_032 SUBJECT_SAMPLE_FACTORS - CR02_033 Genotype:Fh1fl/fl | Treatment:siNT RAW_FILE_NAME=CR02_033 SUBJECT_SAMPLE_FACTORS - CR02_034 Genotype:Fh1fl/fl | Treatment:siNT RAW_FILE_NAME=CR02_034 SUBJECT_SAMPLE_FACTORS - CR02_035 Genotype:Fh1fl/fl | Treatment:siNT RAW_FILE_NAME=CR02_035 SUBJECT_SAMPLE_FACTORS - CR02_036 Genotype:Fh1fl/fl | Treatment:siFoxa2 RAW_FILE_NAME=CR02_036 SUBJECT_SAMPLE_FACTORS - CR02_037 Genotype:Fh1fl/fl | Treatment:siFoxa2 RAW_FILE_NAME=CR02_037 SUBJECT_SAMPLE_FACTORS - CR02_038 Genotype:Fh1fl/fl | Treatment:siFoxa2 RAW_FILE_NAME=CR02_038 SUBJECT_SAMPLE_FACTORS - CR02_039 Genotype:Fh1fl/fl | Treatment:siFoxa2 RAW_FILE_NAME=CR02_039 SUBJECT_SAMPLE_FACTORS - CR02_040 Genotype:Fh1fl/fl | Treatment:siFoxa2 RAW_FILE_NAME=CR02_040 SUBJECT_SAMPLE_FACTORS - CR02_041 Genotype:Fh1-/-CL1 | Treatment:siNT RAW_FILE_NAME=CR02_041 SUBJECT_SAMPLE_FACTORS - CR02_042 Genotype:Fh1-/-CL1 | Treatment:siNT RAW_FILE_NAME=CR02_042 SUBJECT_SAMPLE_FACTORS - CR02_043 Genotype:Fh1-/-CL1 | Treatment:siNT RAW_FILE_NAME=CR02_043 SUBJECT_SAMPLE_FACTORS - CR02_044 Genotype:Fh1-/-CL1 | Treatment:siNT RAW_FILE_NAME=CR02_044 SUBJECT_SAMPLE_FACTORS - CR02_045 Genotype:Fh1-/-CL1 | Treatment:siNT RAW_FILE_NAME=CR02_045 SUBJECT_SAMPLE_FACTORS - CR02_046 Genotype:Fh1-/-CL1 | Treatment:siFoxa2 RAW_FILE_NAME=CR02_046 SUBJECT_SAMPLE_FACTORS - CR02_047 Genotype:Fh1-/-CL1 | Treatment:siFoxa2 RAW_FILE_NAME=CR02_047 SUBJECT_SAMPLE_FACTORS - CR02_048 Genotype:Fh1-/-CL1 | Treatment:siFoxa2 RAW_FILE_NAME=CR02_048 SUBJECT_SAMPLE_FACTORS - CR02_049 Genotype:Fh1-/-CL1 | Treatment:siFoxa2 RAW_FILE_NAME=CR02_049 SUBJECT_SAMPLE_FACTORS - CR02_050 Genotype:Fh1-/-CL1 | Treatment:siFoxa2 RAW_FILE_NAME=CR02_050 SUBJECT_SAMPLE_FACTORS - CR02_051 Genotype:Fh1-/-CL19 | Treatment:siNT RAW_FILE_NAME=CR02_051 SUBJECT_SAMPLE_FACTORS - CR02_052 Genotype:Fh1-/-CL19 | Treatment:siNT RAW_FILE_NAME=CR02_052 SUBJECT_SAMPLE_FACTORS - CR02_053 Genotype:Fh1-/-CL19 | Treatment:siNT RAW_FILE_NAME=CR02_053 SUBJECT_SAMPLE_FACTORS - CR02_054 Genotype:Fh1-/-CL19 | Treatment:siNT RAW_FILE_NAME=CR02_054 SUBJECT_SAMPLE_FACTORS - CR02_055 Genotype:Fh1-/-CL19 | Treatment:siNT RAW_FILE_NAME=CR02_055 SUBJECT_SAMPLE_FACTORS - CR02_056 Genotype:Fh1-/-CL19 | Treatment:siFoxa2 RAW_FILE_NAME=CR02_056 SUBJECT_SAMPLE_FACTORS - CR02_057 Genotype:Fh1-/-CL19 | Treatment:siFoxa2 RAW_FILE_NAME=CR02_057 SUBJECT_SAMPLE_FACTORS - CR02_058 Genotype:Fh1-/-CL19 | Treatment:siFoxa2 RAW_FILE_NAME=CR02_058 SUBJECT_SAMPLE_FACTORS - CR02_059 Genotype:Fh1-/-CL19 | Treatment:siFoxa2 RAW_FILE_NAME=CR02_059 SUBJECT_SAMPLE_FACTORS - CR02_060 Genotype:Fh1-/-CL19 | Treatment:siFoxa2 RAW_FILE_NAME=CR02_060 #COLLECTION CO:COLLECTION_SUMMARY 5 x 104 Fh1fl/fl and 1 x 105 Fh1-/-CL1 and Fh1-/-CL19 cells were plated the onto CO:COLLECTION_SUMMARY 6-well plate and reverse transfected with siRNA. Before extraction, cells were CO:COLLECTION_SUMMARY counted using a separate counting plate. After that, cells were washed at room CO:COLLECTION_SUMMARY temperature with PBS twice and then kept on cold bath with dry ice and methanol. CO:COLLECTION_SUMMARY Metabolite extraction buffer (50% methanol, 30% acetonitrile, 20% ultrapure CO:COLLECTION_SUMMARY water, 5 µM final concentration valine-d8) was added to each well following the CO:COLLECTION_SUMMARY proportion 1×106 cells/0.5 ml of buffer. Plates were kept at −80°C and kept CO:COLLECTION_SUMMARY overnight. The following day, the extracts were scraped and mixed at 4°C for 15 CO:COLLECTION_SUMMARY min. After final centrifugation at max speed for 10 min at 4°C, the CO:COLLECTION_SUMMARY supernatants were transferred into LC-MS vials. CO:SAMPLE_TYPE Cultured cells #TREATMENT TR:TREATMENT_SUMMARY 5 x 104 Fh1fl/fl and 1 x 105 Fh1-/-CL1 and Fh1-/-CL19 cells were reverse TR:TREATMENT_SUMMARY transfected in 6-well plates with 50 pmol of either control siNT (Horizon, TR:TREATMENT_SUMMARY D-001810-10-05) or siFoxa2 (Horizon, L-043601-00-0005) siRNA using 2.5 µl TR:TREATMENT_SUMMARY RNAiMAX per well. Cells were incubated for 72 hours before either RNA or protein TR:TREATMENT_SUMMARY were extracted. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 5 x 104 Fh1fl/fl and 1 x 105 Fh1-/-CL1 and Fh1-/-CL19 cells were plated the onto SP:SAMPLEPREP_SUMMARY 6-well plate and reverse transfected with siRNA. Before extraction, cells were SP:SAMPLEPREP_SUMMARY counted using a separate counting plate. After that, cells were washed at room SP:SAMPLEPREP_SUMMARY temperature with PBS twice and then kept on cold bath with dry ice and methanol. SP:SAMPLEPREP_SUMMARY Metabolite extraction buffer (50% methanol, 30% acetonitrile, 20% ultrapure SP:SAMPLEPREP_SUMMARY water, 5 µM final concentration valine-d8) was added to each well following the SP:SAMPLEPREP_SUMMARY proportion 1×106 cells/0.5 ml of buffer. Plates were kept at −80°C and kept SP:SAMPLEPREP_SUMMARY overnight. The following day, the extracts were scraped and mixed at 4°C for 15 SP:SAMPLEPREP_SUMMARY min. After final centrifugation at max speed for 10 min at 4°C, the SP:SAMPLEPREP_SUMMARY supernatants were transferred into LC-MS vials. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Chromatographic separation of metabolites was achieved using a Millipore Sequant CH:CHROMATOGRAPHY_SUMMARY ZIC-pHILIC analytical column (5 µm, 2.1 × 150 mm) equipped with a 2.1 × 20 mm CH:CHROMATOGRAPHY_SUMMARY guard column (both 5 mm particle size) with a binary solvent system. Solvent A CH:CHROMATOGRAPHY_SUMMARY was 20 mM ammonium carbonate, 0.05% ammonium hydroxide; Solvent B was CH:CHROMATOGRAPHY_SUMMARY acetonitrile. The column oven and autosampler tray were held at 40 °C and 4 CH:CHROMATOGRAPHY_SUMMARY °C, respectively. The chromatographic gradient was run at a flow rate of 0.200 CH:CHROMATOGRAPHY_SUMMARY mL/min as follows: 0–2 min: 80% B; 2-17 min: linear gradient from 80% B to 20% CH:CHROMATOGRAPHY_SUMMARY B; 17-17.1 min: linear gradient from 20% B to 80% B; 17.1-23 min: hold at 80% B. CH:CHROMATOGRAPHY_SUMMARY Samples were randomized and the injection volume was 5 µl. A pooled quality CH:CHROMATOGRAPHY_SUMMARY control (QC) sample was generated from an equal mixture of all individual CH:CHROMATOGRAPHY_SUMMARY samples and analysed interspersed at regular intervals. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish Horizon CH:COLUMN_NAME SeQuant ZIC-pHILIC #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Exploris 240 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Metabolites were measured with Vanquish Horizon UHPLC coupled to an Orbitrap MS:MS_COMMENTS Exploris 240 mass spectrometer (both Thermo Fisher Scientific) via a heated MS:MS_COMMENTS electrospray ionization source. The spray voltages were set to +3.5kV/-2.8 kV, MS:MS_COMMENTS RF lens value at 70, the heated capillary held at 320 °C, and the auxiliary gas MS:MS_COMMENTS heater held at 280 °C. The flow rate for sheath gas, aux gas and sweep gas were MS:MS_COMMENTS set to 40, 15 and 0, respectively. For MS1 scans, mass range was set to MS:MS_COMMENTS m/z=70-900, AGC target set to standard and maximum injection time (IT) set to MS:MS_COMMENTS auto. Data acquisition for experimental samples used full scan mode with MS:MS_COMMENTS polarity switching at an Orbitrap resolution of 120000. Data acquisition for MS:MS_COMMENTS untargeted metabolite identification was performed using the AcquireX Deep Scan MS:MS_COMMENTS workflow, an iterative data-dependent acquisition (DDA) strategy using multiple MS:MS_COMMENTS injections of the pooled sample. In brief, sample was first injected in full MS:MS_COMMENTS scan-only mode in single polarity to create an automated inclusion list. MS2 MS:MS_COMMENTS acquisition was then carried out in triplicate, where ions on the inclusion list MS:MS_COMMENTS were prioritized for fragmentation in each run, after which both the exclusion MS:MS_COMMENTS and inclusion lists were updated in a manner where fragmented ions from the MS:MS_COMMENTS inclusion list were moved to exclusion list for the next run. DDA full MS:MS_COMMENTS scan-ddMS2 method for AcquireX workflow used the following parameters: full scan MS:MS_COMMENTS resolution was set to 60000, fragmentation resolution to 30000, fragmentation MS:MS_COMMENTS intensity threshold to 5.0e3. Dynamic exclusion was enabled after 1 time and MS:MS_COMMENTS exclusion duration was 10s. Mass tolerance was set to 5ppm. Isolation window was MS:MS_COMMENTS set to 1.2 m/z. Normalized HCD collision energies were set to stepped mode with MS:MS_COMMENTS values at 30, 50, 150. Fragmentation scan range was set to auto, AGC target at MS:MS_COMMENTS standard and max IT at auto. Xcalibur AcquireX method modification was on. Mild MS:MS_COMMENTS trapping was enabled. Metabolite identification was performed in the Compound MS:MS_COMMENTS Discoverer software (v 3.2, Thermo Fisher Scientific). Metabolites were MS:MS_COMMENTS annotated at the MS2 level using both an in-house mzVault spectral database MS:MS_COMMENTS curated from 1051 authentic compound standards and the online spectral library MS:MS_COMMENTS mzCloud. The precursor mass tolerance was set to 5 ppm and fragment mass MS:MS_COMMENTS tolerance set to 10 ppm. Only metabolites with mzVault or mzCloud best match MS:MS_COMMENTS score above 50% and 75%, respectively, and RT tolerance within 0.5 min to that MS:MS_COMMENTS of a purified standard run with the same chromatographic method were exported to MS:MS_COMMENTS generate a list including compound names, molecular formula and RT. The curated MS:MS_COMMENTS list was then used for further processing in the Tracefinder software (v 5.0, MS:MS_COMMENTS Thermo Fisher Scientific), where extracted ion chromatographs for all compound MS:MS_COMMENTS were examined and manually integrated if necessary. False positive, noise or MS:MS_COMMENTS chromatographically unresolved compounds were removed. The peak area for each MS:MS_COMMENTS detected metabolite was then normalized against the total ion count (TIC) of MS:MS_COMMENTS that sample to correct any variations introduced from sample handling through MS:MS_COMMENTS instrument analysis. The normalized areas were used as variables for further MS:MS_COMMENTS statistical data analysis. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples CR02_031 CR02_032 CR02_033 CR02_034 CR02_035 CR02_036 CR02_037 CR02_038 CR02_039 CR02_040 CR02_041 CR02_042 CR02_043 CR02_044 CR02_045 CR02_046 CR02_047 CR02_048 CR02_049 CR02_050 CR02_051 CR02_052 CR02_053 CR02_054 CR02_055 CR02_056 CR02_057 CR02_058 CR02_059 CR02_060 Factors Genotype:Fh1fl/fl | Treatment:siNT Genotype:Fh1fl/fl | Treatment:siNT Genotype:Fh1fl/fl | Treatment:siNT Genotype:Fh1fl/fl | Treatment:siNT Genotype:Fh1fl/fl | Treatment:siNT Genotype:Fh1fl/fl | Treatment:siFoxa2 Genotype:Fh1fl/fl | Treatment:siFoxa2 Genotype:Fh1fl/fl | Treatment:siFoxa2 Genotype:Fh1fl/fl | Treatment:siFoxa2 Genotype:Fh1fl/fl | Treatment:siFoxa2 Genotype:Fh1-/-CL1 | Treatment:siNT Genotype:Fh1-/-CL1 | Treatment:siNT Genotype:Fh1-/-CL1 | Treatment:siNT Genotype:Fh1-/-CL1 | Treatment:siNT Genotype:Fh1-/-CL1 | Treatment:siNT Genotype:Fh1-/-CL1 | Treatment:siFoxa2 Genotype:Fh1-/-CL1 | Treatment:siFoxa2 Genotype:Fh1-/-CL1 | Treatment:siFoxa2 Genotype:Fh1-/-CL1 | Treatment:siFoxa2 Genotype:Fh1-/-CL1 | Treatment:siFoxa2 Genotype:Fh1-/-CL19 | Treatment:siNT Genotype:Fh1-/-CL19 | Treatment:siNT Genotype:Fh1-/-CL19 | Treatment:siNT Genotype:Fh1-/-CL19 | Treatment:siNT Genotype:Fh1-/-CL19 | Treatment:siNT Genotype:Fh1-/-CL19 | Treatment:siFoxa2 Genotype:Fh1-/-CL19 | Treatment:siFoxa2 Genotype:Fh1-/-CL19 | Treatment:siFoxa2 Genotype:Fh1-/-CL19 | Treatment:siFoxa2 Genotype:Fh1-/-CL19 | Treatment:siFoxa2 (R)C(S)S-alliin 6650007.37 6255594.863 6289276.751 6817240.416 7670896.926 5924625.171 8703420.806 7615807.948 8553121.517 9380295.444 3974974.08 5757014.589 4786227.995 5379977.943 5584632.628 3131500.286 5661199.854 5397104.677 5252454.331 5409114.045 2869607.359 3880512.105 2997587.761 3456796.49 3645596.864 3322410.543 4018843.123 3600042.744 3096618.062 4376089.991 12,13-DiHOME 606954.9196 0 650439.3456 727629.1282 0 460153.2373 630401.2526 474517.6506 0 748766.19 14066167.2 19556530.23 19908460.06 15732281.54 3532676.76 16541351.11 3824831.909 11767597.41 9156767.294 15232014.55 5039369.689 12264497.53 9967170.281 14678348.89 13676906.86 3247755.94 6418463.364 6537613.026 8095939.285 8094267.85 1-methyladenosine 16205078.12 19070590.62 21163955.08 17978822.98 21156621.08 15310178.14 20628803.58 19980513.61 21287235.12 27232496.94 10056724.92 11469456.85 11580338.21 11724884.6 10811164.51 9562651.399 11668104.97 11374509.08 11575518.45 11308820.73 6816591.988 8513733.165 8941480.775 8256909.77 8741118.975 9115640.531 11345977.23 11048025.52 9190458.766 11676249.88 1-methylhistidine 76245644.21 76419526.09 102918847.9 94770700.02 115102971.2 75268468.79 85451681.89 127262966.4 100519331.3 88828295.42 75050916.82 97616482.74 102658746.2 124326808.9 135317354 63293808.48 121044769.1 91045703.04 98340012.26 109869428.3 55216304.17 69001650.2 78868526.68 61112491.19 66103910.22 73908246.64 82095853.02 70239719.1 66234696.52 90340192 1-methylnicotinamide 50816191.93 49092230.96 61540195.93 56295356.91 60488543.5 54820451.15 73355797.04 68273880.52 69872660.46 87220432.81 210470313.3 300339274.1 254014485.7 274598649.3 287754092.6 160826568.4 262200117.6 250354811.5 233185436.8 252008480.1 288994735.1 357298445.5 329618092.5 372312881.3 358893705.4 332056136.2 401077243.6 391276411.3 317794414.2 415087579.8 2/3-phosphoglycerate 39469103.77 25570535.94 44296771.91 43297493.82 36892360.89 50882386.32 51050724.1 52657675.41 42311602.78 42108659.78 48376248.17 76251239.63 62217388.91 57097292.94 57949601.7 41306490.78 47341528.62 50908823 53935129.1 43159376.58 62418258.48 68464871.07 62581049.95 71230415.65 75545033.82 69682826.6 72676284.93 81812150.19 71139209.59 81313493.09 2-aminoheptanoate 1014176.027 650932.9999 2515712.892 1194401.255 1108445.924 1159706.967 996909.2509 1231121.068 1072769.156 867458.398 1039866.21 1266995.519 1110267.565 1323643.304 1272290.875 1403841.24 1165010.047 1202736.547 1884290.155 1286781.296 575640.2556 590065.7926 678931.2251 782844.2518 712174.9173 697892.2068 773389.2015 795387.1626 748056.1459 876010.925 2-hydroxyglutarate 18454792.32 20461016.91 19994822.98 17809028.16 20867153.38 15717522.17 20374793.44 18360678.97 21148758.57 23007234.56 7710495.529 8879730.356 7901829.831 8488062.835 8970003.133 6592175.153 7825701.603 7233748.12 7166656.921 7934815.416 8334755.919 8974620.221 9068619.465 8868159.967 9053642.505 7482052.516 7669947.413 7429106.464 8122966.23 7759157.28 2-methyl-3-hydroxybutyrate 1661865.043 1437742.434 3202400.196 1936375.718 1809332.74 1423122.012 1909986.342 1739652.232 2147303.084 2271341.308 983107.8452 1210459.143 541483.3179 1239723.682 1171321.922 412868.1137 1112029.297 1096515.858 962581.0432 977418.3185 851756.4953 1128750.061 1118557.409 888888.0703 1281359.097 1041512.79 1151996.674 927707.8496 941265.0916 1090965.632 2-oxoglutarate 96554601.47 107628581.1 108511112.2 91574333.71 105697066.8 84830263.02 120089089.2 103982601 117894159.4 127247992.3 19363523.19 26818102.93 22221277.42 25560935.8 28969001.24 13991194.05 27550678.18 25873747.89 20441839.77 25998138.16 24419632.43 26617857.76 25705675.85 24277096.82 25941371.43 22919550.8 23130581.78 24448230.43 21860737.61 24286263.52 3-methylhistidine 108867785 57686703.3 107658755.3 132596520.8 90061001.78 118326370.8 103723642.9 99013087.82 79154669.34 78516001.69 96848883.5 160308003.4 106755058.1 97801882.06 102105243.8 63467145.47 94939555.25 131800139.9 106831727.2 83608142.46 66498268.87 64256085.91 59399389.36 87264732.25 81610734.91 75269803.69 81669343.16 100721008.3 79631979.53 85642664.28 3-phosphoserine 9529154.488 6399108.189 10155040.65 10695213.72 9346006.154 10919704.57 9512029.089 11777410.77 9816890.184 8016534.175 890285.5614 481221.4042 1024383.121 808662.5016 382155.9199 1129709.614 431817.8771 1111695.321 1061470.735 652900.4353 993865.1408 495042.7113 1437632.217 1338799.202 1117246.956 1461100.636 618512.1127 1589815.428 1558091.003 1036232.577 4-aminobutyrate 773543487.4 783267775.6 830183494.5 813777440.8 868720788.6 639877606.3 809492713.9 732085449.4 789585280.2 950132523.2 298904377 305282263 325918243 298776248.6 275413677.3 277608742.8 344851890.8 375757073.7 323904105.5 342212337.9 520682351 536882918.2 616451145.4 651694916.6 630103172.5 649566391.1 660998859.6 744834992.4 692813197.4 765373061.8 4-hydroxyphenylpyruvate 3474414.075 2674093.264 4422395.325 4640195.041 4195649.574 4024559.945 4412163.929 5056349.044 4348396.345 3866657.689 3386261.538 4556898.95 4136238.622 4004885.478 3410763.38 2598518.04 3420092.199 4190306.681 3880972.963 3520207.284 1945543.011 2176791.591 2186735.509 2352289.147 2178306.518 2311143.27 2147259.321 2779345.342 2180417.849 2571574.341 4-hydroxyproline 60047135.48 58654056.1 68661001.98 67418866.03 64069550.28 54117234.67 59638932.75 62680442.75 59496833.2 59944603.17 58602440.56 71634340.42 65407037.69 64144128.64 73492458.9 48484734.99 63684181.97 67064607.35 61884966.28 60755995.87 56705310.42 58022943.04 65006806.32 65120389.93 67312794.02 67926134.92 61274203.11 59750499.11 62668773.62 69114237.25 4-imidazolone-5-propionate 16528235.51 15116625.43 19986823.13 19543720.04 20586478.97 17424540.23 21029367.57 22238355.07 21417167.99 24190960.24 6056925.113 7255213.026 6873158.522 7063228.436 6813271.809 5548790.396 6479795.513 7283428.53 7298773.592 6886834.499 4709706.385 5655936.868 6025530.062 6126740.05 6337516.617 5385728.607 6375934.905 6513160.709 5374118.029 7339391.983 4-pyridoxate 3653700.517 1501964.134 3252318.269 4146466.193 3843345.263 4343696.998 2951674.928 4637964.376 3325197.332 1780503.441 9359285.496 12561972.87 10979127.03 12643185.2 12096720.86 6952154.13 11914151.83 13886699.9 12427237.62 12633709.45 11051218.12 10680567.1 13225447.35 13860155.52 13916291.62 13645151.97 13873799.9 15769948.07 13567912.2 16917107.93 5-hydroxyindoleacetate 1351062.87 846871.7459 1233283.654 1802147.414 1349055.939 1262714.664 1340655.906 1609418.596 1432305.366 1268241.622 614918.3759 844333.6696 511391.8501 889223.8613 1012820.786 388544.922 1105792.533 876703.018 995271.0197 912898.1632 491261.1936 665101.0114 534897.8107 577572.3014 682226.1131 641962.3558 619696.2121 627763.261 588445.6838 663041.913 5-methylcytidine 1983344.079 1621868.205 2374613.896 2473715.711 2385006.817 2257770.881 2348031.385 2814001.111 2394939.988 2343990.632 3852744.811 4178541.484 4254506.919 3889910.089 3579292.447 2949300.023 3536184.475 4271613.794 4132384.341 3713500.978 3021099.36 2515074.053 3361925.261 3819091.484 3315346.179 3648645.143 3677046.464 4130567.269 3748583.826 4259700.451 acetylcarnitine 492543955.1 442607615.9 578801425.3 576838299.2 582314634.7 516897638.2 640311952.5 614308695.9 633913203.4 724803183.4 931400856.4 887789608.7 1031099936 932261043.5 772069632.4 808509753.4 818098193.4 952572533.9 927645759.4 847630054.7 858885262.7 829207865.9 1046858121 1126326661 1039194328 1019226630 1046179009 1262327577 1076805330 1239253157 acetyl-CoA 4349877.225 4309798.747 6203396.048 4453263.94 4773094.069 4418073.871 5250549.752 6137072.984 5427582.899 6502215.86 5969960.396 11504165.44 7915015.834 8020296.238 10529591.84 3148544.893 10022166.95 6889982.495 6082455.726 7766397.218 7510378.849 9375869.575 8955706.36 8358124.072 10161219.83 7997508.52 11101205.58 10377562.22 8837841.502 10577448.59 aconitate 12207527.86 10197170.49 13284450.05 12467021.14 13530626.35 14213348.28 17123710.73 15685328.61 16478726.05 17379095.06 1689240.911 2020184.408 1887127.568 2223815.01 1858052.476 1473874.895 1636319.234 2071986.481 1845140.178 2055059.953 1622922.764 1969343.775 1765827.177 1817368.908 1866031.452 1438187.909 1507942.173 2013936.637 1442557.919 1771251.717 acrylate 3208690.93 2970060.994 3801886.573 3246966.875 3486199.63 2803116.235 3930335.582 3860396.688 4390731.726 4015956.509 80766567.26 126370964.4 98129965.45 119403025.4 130392882.1 59320256.01 122891282.9 109907590.2 100892421.4 118715404.1 75350925.23 96926943.81 85030080.51 85344597.47 90708069.31 91429352.49 114550557.2 97592567.92 81736246.64 107421761 adenosine 8539227.631 7287268.749 9313301.838 9893727.904 9364570.114 9303529.008 12334482.69 11907303.03 8832289.845 11333739.12 20086889.3 24930582.3 20710751.15 25592265.14 18035166.98 18897381.57 23993440.3 21893466.1 29064349.56 19540472.81 14532859.45 18316941.61 14159873.39 18853644.94 13729762.7 20555894.6 26676724.33 22166003.24 19993398.04 24044383.32 ADP 59884461.93 49657019.1 77742009.09 66868462.35 59405059.2 72545376.19 85879949.55 80566319.41 77001390.17 80048830.32 93517022.28 118262532.9 109402129.1 104077477.3 95689003.03 71315403.24 98192244.79 95746038.55 92681460.97 99564634.51 90114854.93 99619211.32 87779002.21 95730647.4 110405069.9 107838136.1 148041433.5 132439182.7 107902932.9 138122935.2 ADP-ribose 2101395.906 2221664.054 2254171.129 2357187.34 2385919.424 2091417.378 2435882.309 2102613.427 2273904.201 2599090.385 2745300.137 3806989.888 3432083.517 3883428.536 3407678.745 2553311.382 3018780.428 3031852.127 3480525.727 3361895.841 3316307.029 3894717.369 3420799.521 4425296.916 4142739.386 3821261.54 4883165.298 4041095.664 4079998.562 4936944.734 Alanine 957402442.1 815953970.1 1034187693 1073464238 1002555259 1023646574 990546311.7 1109085961 1021226099 923952876 655616464.9 769880867.5 717230094.4 746272763.7 726473708.4 549421047.7 705585623 754075496.4 712090099.2 722309809.7 556971155.2 531455514.4 623200915.3 646961393 636310974.6 636821532.8 631068259 700174535.7 639664189.2 705168617.3 Alanyl-Glutamine 3396739.664 1558132.46 3082294.817 4810296.549 3522068.646 4665933.979 3083446.954 4969406.787 3930746.404 2224763.621 3911146.962 4758394.445 4652177.1 5036612.341 4202599.36 3256694.664 3887868.523 5394692.607 4980433.465 4435710.285 1979522.095 1782928.448 2480739.457 2859847.623 2639107.02 2941181.571 2756929.244 3591790.676 3013123.957 3395279.568 Alanylisoleucine 4606609.599 3442323.922 4925843.816 5757592.632 5776871.083 5577677.379 5267351.661 6700391.521 5826288.373 4849154.004 6820574.606 8532890.773 9644794.092 9016567.205 6631151.985 5252332.569 5702587.026 7072725.416 7797482.749 6986579.426 4260679.263 4012582.831 4938055.314 4847768.515 4867039.24 3890657.27 5848022.736 7096049.061 6422390.788 6261398.623 allantoin 1648567.974 2639589.296 1875341.219 1282102.538 2074070.592 917948.6221 2579018.167 1376545.37 2467967.529 3869477.453 1323967.821 3201705.204 1678281.185 2552662.944 3262803.737 480918.889 3162135.578 1743142.013 2053889.925 2711532.367 1808110.848 3038756.304 1706140.481 1624803.844 1986155.439 1503027.952 2379123.083 1529313.972 1099176.214 1966570.306 AMP 64947515.24 61925553.38 59593187.35 83843152.01 85251535.36 65250322.69 98283521.7 84611731.71 77652783.82 84261944.87 74113825.99 85468737.68 76680190.83 91990371.55 87870143.95 80048834.09 74826640.95 71753660.25 91785881.13 92830765.53 55401243.39 62727310.67 58829184.16 68891537.12 68484827.68 63272247.67 75804491.96 63951729.47 62827498.89 77469656.39 anserine 355027.0052 308842.6646 264358.4373 513393.4744 370826.7498 401151.6154 338583.4245 441807.4324 186544.7168 234198.9335 731068.5046 1207165.602 994110.1934 920102.3892 1170212.236 581497.772 1232875.141 1319293.142 858349.1176 928641.2218 652104.4695 792043.3595 910590.1948 799586.9886 922698.8181 961680.4377 764000.1689 690100.258 817752.8892 991548.6003 arachidonate 1636154.534 2288150.094 1977404.271 2111009.631 1665049.095 1784420.987 1631446.138 1814325.007 1827609.094 1488415.655 5049234.416 5174672.731 5146119.791 6496746.547 5285290.701 4432701.468 4625081.677 3860145.266 5030483.639 4727764.871 5056265.639 4486020.102 5195963.728 6373473.578 5213955.885 6131581.993 5974953.009 5774356.396 5774302.269 5587999.297 arginine 612283614 362423869 752343464.1 728123146.6 584828626.8 662142935.1 626486875.2 735510612.9 608724919.5 547152584.4 915289718.9 1395786408 1146110468 1163914162 1266772256 720045419 1245078239 1241282740 1143363735 1205313654 734243645.5 927288733.4 625051731.1 820499618.8 825194922.5 836016822.7 995583691.3 894563140.2 765197042.4 973318516.8 argininosuccinate 1861345.031 1312513.85 1901360.931 1880780.424 1826670.989 1763007.949 1914203.37 2022524.421 1800697.829 1368104.6 165058828.4 267218406.5 206060010.5 249181757.9 281518975.2 133775121.6 283444662.4 258099383.4 237759703.7 297570551.6 119391244.7 152952194.4 127740585.3 135027232.1 141909429.9 148389845.7 174178203.1 142547283.1 128723686.6 166328422.6 asparagine 18507833.99 12539457.55 20019560.67 22567994.39 18942284.98 25276686.81 20540090.09 26484375.41 21694298.52 17619659.26 34357427.83 31310078.75 36242726.99 35480901.07 29498363 31228273.54 25934523.68 35009482.02 34951640.71 29086793.64 23197002.03 19571124.66 27846820.45 30131280.82 27382046.6 31726053.72 26573312.44 35764223.82 33124989.02 33955501.12 aspartate 349829884.5 298542019.6 364388656.5 370641376.9 356954889.6 360932744.3 368309960.7 384712367.2 365880525 346713265.4 132566814.1 113373415.8 139569676 126566004.3 97921032.32 116523419.2 89187340.19 123610736.2 122996622.5 96734953.11 87590492.84 69377504.32 101381560.8 108206492.7 93732631.83 106464080.2 82922903.09 119695558.3 112885388 97885483.02 ATP 147570730.8 100038625.8 213352685.4 165592953.3 124386614 184388492 226472209.4 216137055 212839851.3 223110807.4 213738759.3 283960552.3 285009230.9 234843675.5 202944370.8 125947640.2 212815863.4 217651483.7 199836761.3 212329919.8 189548511.5 234588262.9 145521876.5 181099607.8 219292573 251433381.5 396436621.5 346483776.3 267239365.9 356345031.7 benzaldehyde 3333601.526 2400825.521 4132967.704 4427932.352 3897123.429 3897171.301 3522559.531 4813977.649 3788558.278 3169357.22 3581359.846 4417495.5 4173874.211 4327178.656 4151844.341 2942677.475 3753156.057 3991818.221 4075387.713 3844751.882 1953279.478 2075140.216 2420363.433 2498220.148 2406141.774 2430947.127 2454669.998 2885436.117 2564508.518 2843585.002 beta-alanine 461555766.9 395442134.8 499272641.3 519609601.9 495714509.9 523042955.2 540686094.1 562466908.3 539064658.8 540161001 597013073.4 516227842.2 620343961.9 558270894 448155763.9 560452354.5 441906946.5 542937057.5 529729787 451152381.4 595123415.3 570729656.1 674078250.3 715900462.9 673299831.1 592156940 551283648.9 695228993.7 627903549.3 663398115.1 beta-aspartyl-glycine 1642684.814 1588751.395 1898051.381 1614190.505 1682467.457 1795098.81 1950008.877 1979255.49 1780132.785 2114059.37 2927222.815 2142818.444 2968472.881 2367178.785 1717757.583 2807247.163 1608832.685 2340332.324 2383231.982 1832507.917 1972578.655 1714167.129 2307799.638 2404319.157 2323425.913 2135058.024 1999833.718 2743928.657 2447330.909 2311028.093 betaine 2820837474 1956771540 3308095357 3979507499 3269771997 3364540835 2811437067 3581423533 2952246548 2805843946 8078839323 2391286852 7986795239 3997684950 1697482886 9728476006 1455089674 3374240072 3719492516 1720723287 1279467895 774989540.7 1912434580 2026152841 1554803354 1406585510 994148874.4 2085807885 1918069435 1559193526 bis(2-ethylhexyl)phthalate 484694813.4 268591639.7 517068608.5 502621188.4 467877177.2 507802920.3 556540223.1 650707321.7 620086092 605427137 771147299.8 790394924.4 873466548.9 865255273.7 762273550.9 687390720.2 703254038.8 818726905.7 795718337.5 649843193 653658866.5 723512248.2 740046466.4 792819456.4 699747189.4 707964569.6 801111381.1 827014909.7 691859328.9 744373782.1 C3-Carnitine 124660091 116746783.7 146657384.6 139403224 149561435.5 118206390.6 152907474 144620683.3 148292559.8 169058510.6 19689081.93 15378627.52 20137515.53 17563335.46 13676533.85 22877199.37 12531226.26 16400159.21 18028736.22 13516706.33 10238557.24 9099322.231 12333375.35 12658135.57 11234915.78 9106967.243 8463783.899 11997941.04 10186717.56 10626081.72 C4-Carnitine 227992102.5 202757170.4 264206194.6 256035730.2 256220195.5 218495222.9 263420891.5 266542820.6 257900560.2 279763137.6 126483837 126230078.4 142120767.4 132756493.1 109072661 96016936.91 102576590.9 126596291.9 120840758 107746052.6 166291471.1 159409058.1 216982051 229017707.5 212050168.3 178517503.5 170003515.5 220592821.5 189914232.2 213917309.7 C5-carnitine 63154358.6 48809892.72 70540705.88 79010545.38 73036025.37 60864638.07 66296590.71 70686538.78 68297419.32 65544917.7 10918103.7 8332860.647 10441240.42 9618000.452 7078497.16 9710844.458 6690859.19 9590302.746 9031131.645 7643063.409 7883818.897 6667052.251 9694072.677 10373015.36 8892000.674 9396140.374 7816780.066 11797844.15 10387733.14 10650711.89 carnosine 1351812.788 2014783.235 1918876.449 1569619.717 1802637.898 1696727.46 1707955.254 2064753.922 1883349.65 2035625.555 3865953.282 4469044.31 4005879.743 4258371.492 4726155.859 4093896.153 4455363.4 3895186.251 3870503.379 3908174.236 3398498.509 4211067.715 3857040.193 3889702.266 3976681.841 3289225.02 3698780.97 3399966.709 3521120.119 3620484.869 Choline 81288181.32 71055986.75 100244850.9 103215958 90868286.75 78253787.49 77140481.8 96360970.85 83736979.37 71725539.79 435940800.5 471958425.6 477663134.6 504257438.4 422581926 358079914.5 337052456.3 398024044 425153898.7 359508867.7 472039184.5 482810735.1 593003453.1 627038261.4 570375251.1 451846907.9 428499235.7 581706624.2 485426779.2 526686317.5 cinnamate 15708053.36 9830089.494 17417592.52 18916942.58 16817625.96 17578435.37 15478849.14 21274839.36 15765047.17 13418230.41 15172383.95 19626661.54 18007157.76 18799332.85 18558350.93 12352149.07 15589112.15 17883372.66 16823608.7 16795919.3 8019678.544 8604532.723 9689292.611 10560375.2 10039224.55 9840993.447 10564382.98 11779394.31 10047424.47 11850020.68 citicoline 4240811.448 3642236.413 4547582.417 4798318.492 4773723.488 4520572.632 5158704.811 5005103.818 5029752.152 5188371.989 4050120.649 6304794.96 5198758.587 5486982.52 6384249.872 3992472.704 5732517.648 4977852.055 4912710.707 5595744.862 6981981.097 7665265.173 7958647.269 7939788.166 7930738.943 8597996.143 9028699.734 9652841.273 8219644.279 9564444.525 citrulline 34012499.81 26213267.04 38523996.18 39350856.32 35150461.24 38958181.42 37556790.47 43160918.96 38243438.27 32522612.91 24830364.05 30328328.62 27383394.9 27748966.94 27435899.14 25571371.09 28312790.83 30299027.91 29706169.47 28554489.34 20297564.51 19022063.21 22483421.67 22638603.71 22081580.6 23799474.89 21937366.23 28536147.41 25359592.41 25977126.9 CMP-N-Acetylneuraminate 23086802.44 20027986.11 26688450.96 26454045.38 25543892.06 25923845.59 28056297.37 30821104.74 29007237.5 29617430.86 27678399.81 26625537.83 30233207.04 27988948.89 23441126.34 24768067.22 23984875.94 27594910.87 27133643.01 24567693.94 9818157.822 10151082.84 12146122.4 11582648.74 11283297.37 12373456.3 12880748.35 14594123.23 13321324.38 14305724.7 Coenzyme A 985159.248 824746.5546 1678602.048 1069095.078 1123996.124 1417283.092 1797513.448 1733603.409 1517994.912 1554769.714 2455111.685 4992202.716 3024308.452 3415210.645 4776354.419 1094490.452 4683377.051 3014809.978 2321707.065 3326621.92 2685194.511 3891512.283 2581772.14 2134202.291 2889579.905 3298666.154 5447291.731 3898218.36 3119884.504 4186604.171 creatine 7876147516 7916469579 8572563796 8534607538 8570272249 8132977633 9185302298 9110501442 9107336816 9968864521 6540445865 7559382374 7227553987 7418641257 7512167162 6814486939 8211348328 7727626517 7669338314 7969283173 3767283909 4045463566 4281459508 4521207102 4455767106 4648181412 5295347476 4934446036 4516050008 5389103588 creatinine 187523102.3 154557913.7 244944057.4 226620690.5 209120776.9 216001840 237181516.4 240204828.2 206094587.6 235812447.4 185662350.6 249031102.7 222813998 222551112.7 226647091.3 170583053.8 216001245.1 242143941 219220585.4 223353434 176923980.9 206856548.6 199602087 210848236 210107747.8 204108201 222015255.7 242827166.3 206460748.4 239808856 cyclic ADP-ribose 10206377.89 10737490.68 12141577.43 10947665.17 12495478.2 9895648.259 12803490.94 12410288.9 13418055.89 15411440.59 10662203.81 14768292.23 13203598.36 14220566.07 15321861 8482919.068 14635030.83 12482773.33 12540644.48 13844975.21 10843551.27 13544684.78 12460218.88 12369061.88 13447637.26 11859360.1 14966055.13 13166909.02 11738193.61 14946933.74 cyclic AMP 815777.318 814909.2938 783477.8186 825859.267 964490.9902 852166.037 1083870.031 1077997.266 1071517.737 1245821.538 913003.7917 1323941.056 1192185.689 1199901.834 1348100.615 711344.6925 1141245.782 1151111.41 981651.6987 1094966.281 1427860.355 1702268.95 1657297.693 1701180.411 1621588.375 1734555.8 1861424.388 1880585.27 1401386.984 1828475.961 cystathionine 1261567.088 914481.2377 1407211.973 1397015.258 1245899.169 1187459.134 1090450.661 1262604.26 1010627.61 1084732.255 694431.0206 834130.5027 797463.7145 659877.0154 735612.6087 532401.3506 517971.4014 612930.013 530795.9813 467259.1019 646928.704 740811.9415 884203.0151 883572.4109 853599.0941 784987.1758 702820.6947 781221.9406 832753.8433 798228.3257 cysteinylglycine 4887068.35 4560430.089 5313540.237 5726561.52 5625878.114 4746835.368 4507008.737 4983792.192 4945571.838 4950269.79 7585030.925 10665378.58 8524370.872 9961974.8 11112569.96 5193738.564 8711418.14 7656951.723 6886226.743 8356695.534 8284111.747 10748570.5 8835541.71 8927686.608 9315854.725 7180072.335 9844727.81 8323330.495 7464538.405 9567626.591 cystine 3818970.923 3968483.999 8865079.823 6119044.413 5250245.027 5298490.732 3733572.754 5969673.074 3955146.797 3394173.975 14898002.62 14474690.38 16087652.63 15374383.58 14234427.64 11193235.89 9493287.122 11394895.11 9651047.968 8488758.735 18662840.37 23011520.2 17370971.8 20829248.86 20177852.27 14543747.8 13003596.83 14941373.19 13829591.44 14007776.28 cytidine 5289774.514 5010417.801 6402958.41 6018608.917 6119299.162 5394930.634 7189446.97 6841607.744 7410981.356 8648382.272 6948398.893 5649614.639 7255050.656 6252604.2 4387314.879 6288944.682 4404834.911 6175118.654 6312473.72 4527362.659 5026485.901 4771221.339 5727488.734 6175622.962 6043592.259 6100385.308 6032400.134 7060989.049 5913013.805 7030648.916 cytidine monophosphate 6580750.488 5769849.382 7107168.774 7770141.273 7456679.394 7779621.435 8495032.942 8323854.063 8064038.87 8053607.219 5534125.814 5883118.146 6049129.964 5905688.693 5086218.769 5339065.951 5245350.947 5598353.293 6051611.317 5800609.47 3334092.927 3309824.331 3953532.092 4495236.463 4364299.469 4368965.151 4451858.081 4837307.523 4279617.008 5081575.162 cytosine 1732109.19 1942124.898 2177860.237 2026972.017 2312784.68 1918550.753 2498248.59 2357108.322 2476277.043 2879883.115 2078436.618 1673781.568 2370529.2 2032161.472 1458910.318 2004956.028 1415341.001 1886181.507 2156294.369 1562327.808 1686121.389 1741507.947 1914996.846 2012572.403 2014326.941 1975161.407 2036472.202 2242595.841 1937687.906 2379476.324 deoxycholate 950197.6198 636071.7251 1363500.004 622919.3633 1203943.353 968779.5569 852022.2328 909433.1563 865610.5441 914126.5531 854490.8066 3370836.19 17487514.1 3136840.92 14734340.05 1384383.488 1819988.251 1559920.611 1420560.68 1408966.319 1585344.66 1532693.475 1687355.74 1475288.793 1581697.509 1698478.791 1822463.582 1702246.372 1527772.548 1684854.981 deoxycytidine 25532442.96 18972418.9 28699715.3 29463158.36 28221222.29 24690077.26 28160449.5 29868171.13 27988975.56 24841482.47 24134278.35 33225704.13 26554982.56 30975306.9 32080673.59 15065773.91 28606002.99 30112186.99 27248106.48 28537493.64 19375265.95 23015018.84 21360507.96 22910445.55 23993686.93 20040659.12 24751703.4 22855541.07 19620700.46 26789549.28 dethiobiotin 16685765.77 13032417.82 19024363.35 19328785.36 18321963.73 17729712.24 19242084.66 20529948.92 19069412.51 18517992.68 12011931.91 17130566.5 14694205.28 15249529.38 15614965.58 9514176.343 14915320.41 16289575.7 14846926.51 15723253.59 10454591.33 11570035.18 12373890.97 12809835.29 13461139.18 13092474.83 15142589.46 15538932.99 14074235.11 16505731.81 didecyldimethylammonium 28519678.9 24871982.26 38624319.7 41481375.43 37431164.29 30066035.45 30429113.21 30666161.74 77730376.94 127175716.3 79202674.93 84371359.88 93205047.9 246961459.3 117667823.1 175979745.4 85492887.56 81391115.39 280920745.8 142477492.4 33516251.24 29783936.51 25426152.35 124637769.7 47288046.85 30141804.5 36790632.45 36423361.55 52682167.69 47181413.81 diethanolamine 81597124.19 70734417.78 85042325.87 73288928.95 56336493.76 89228117.28 41692150.87 37335864.08 37774637.66 45175624.52 25942981.58 10429198.49 8032451.129 3269202.029 44765770.87 37383914.61 9563275.531 13312028.85 3063996.461 4350252.182 15181694.46 14714637.76 4384794.612 3387798.035 5385752.376 29527966.6 3744305.759 3534801.12 6597749.998 15940842.89 dihydrobiopterin 73107286.53 75656742.6 125893725.4 94593560.02 97752577.47 85009594.66 93736545.54 113154687.3 89976273.73 94835867.06 142758485.3 155487760 169080864.6 161912056.4 152521548 117402318.6 142723062.2 156640870.2 155139213 131618927.6 121855089.5 149874726.4 119993243.8 127202217.1 122492008 125007278.3 137360944.3 141677608.3 125594839.2 139666468.9 dihydroorotate 2750724.089 2408587.856 2580130.5 3110022.329 3597174.724 1684080.034 2387077.074 2110010.601 2635449.509 2555354.111 1210591.922 2788263.714 1449231.527 2043202.497 2424629.537 585102.5052 2860445.057 1979629.68 1825419.083 2404263.641 2498263.273 3163814.058 2555721.033 3613049.464 3382725.024 3078640.162 4518197.454 4277530.755 3109307.043 4159497.04 dihydroxyacetone phosphate 24120334.85 13303958.36 23775823.07 26421540.11 19888715.18 28495747.99 21837322.29 28872350.59 23461318 15138644.08 27649547.98 34972017.5 27827028.68 27822486.59 31671136.09 16008644.05 36044207.73 33813803.85 28253020.31 31859543.45 39799554.75 44724308.46 36938131.65 37002333.14 39485316.8 39095123.68 44849864.31 40442885.69 33632253.98 41847662.27 dodecyl sulfate 40019252.49 28579315.57 68617018.02 39526156.88 38295587.59 36912819.94 36243908.45 37112757.7 36454859.29 38465834.64 40965643.8 49938311.74 64595846.48 49600255.71 53781707.77 55272924.12 44786380.43 43371779.33 45389548.25 52879651.76 41246209.87 45696619.37 45547268.98 45366356.19 40518208.79 44787882.15 42563151 41535418.12 49760340.43 42816468.53 erythritol 2886194.308 2160329.88 3709745.5 3858158.28 3497294.65 3808100.116 3396412.092 4410873.171 3817848.206 3020565.083 5119203.454 4346523.992 5537054.609 4989505.227 3916520.746 4151118.151 3678838.835 4754250.552 4433143.549 4084955.982 3361072.663 3389048.384 4488655.655 4344929.843 4145511.837 3853489.849 3702473.945 4803041.842 4153165.693 4496472.587 erythronate/threonate 64674853.72 54845053.61 75627355.2 77109437.51 78409978.96 67717469.09 78982476.42 83438460.18 83795506.77 80091625.73 61691252.71 47187889.43 69875960.86 53863378.84 41605054.09 59809969.81 41262110.94 52080498.48 53763715.62 42866588.53 51304100.44 52252988.13 64015521.27 68248163.15 62318530.49 57284947.03 59623874.69 74423390.38 64506372.76 73134121.99 FAD 2600881.906 2482815.011 3193672.299 2769899.138 2879467.29 2877283.783 3467058.595 3302645.166 3311141.669 3678243.61 3957368.052 5891340.052 5247425.96 5461867.491 5117331.82 2934464.09 4202778.433 3692788.219 3548458.452 4105933.051 3048386.233 3738251.788 3638942.424 3657762.539 3885344.383 3646936.313 3942251.734 3574630.82 2952980.336 4347198.459 fructose 6-phosphate 16367864.65 9891239.734 19813609.15 20831652.78 16795829.86 18141991.2 15273304.35 20723564.77 17355291.02 12940952.22 35717007.36 39852224.72 43271589.36 42198192.18 38825054.74 25232204.39 32572165.53 34826047.44 33958262.93 33318370.03 30260306.17 31109624.61 36671744.34 39110742.51 38281068.57 32574646.91 33621764.78 37036452.97 32685790.98 39236078.64 fumarate 23475938.11 21316581.61 28300088.78 25356634.48 26919581.87 22718958.75 28490198.06 27659545.66 29540266.1 28025032.21 576058886.1 923607595.4 673587356.4 777927118.5 872983169 393387780.4 824862529.6 787539017 691513077.2 784434308 523555101 651727344.6 570209985.6 611242262.2 630121937.6 632625159.7 768714885.6 712247101.7 570986320.8 724587806.5 gamma-glutamylcysteine 5514098.772 4733466.027 6195938.691 6472433.644 5491344.955 5920892.68 5771938.951 6007077.769 5099357.081 6208039.32 3901431.395 12633237.68 5509940.484 7249565.175 14079090.95 2078799.821 7361096.75 4171942.085 3947192.096 6153982.707 1783759.441 3281251.538 2269710.02 1879495.514 2229503.639 1595347.837 2325472.838 1635920.318 1433052.292 1831743.951 gamma-glutamylglutamate 3200511.834 3025955.318 3628956.104 3589488.138 3802650.424 3106701.88 3774545.214 3894179.553 3868213.107 4334398.312 2853286.695 3695739.527 3240958.707 3552094.888 3597556.971 2195607.833 3018289.726 3297180.129 3093116.386 3171695.172 2231893.816 2531022.947 2542526.794 2865462.252 2860456.287 2668644.643 2873070.234 2861902.982 2421456.225 3023944.431 gamma-glutamylglycine 129249307.7 134475251.8 143025715.7 119383074.9 141368221.5 123227547.7 185638006 144107535.4 169430962.1 216757324.8 24307041.2 29684753.88 27763338.34 26455646.28 26151369.09 24088166.69 42921629.26 44535626.33 42946037.22 42840846.89 42714859.97 41255751.67 44627559.71 48208764.1 44476373.82 67864270.71 68848075.61 74410658.06 69472654.09 72400338.73 gamma-glutamylhistidine 5127279.584 4893752.462 5721211.19 5411553.443 5667472.171 5641999.797 5965583.99 6474572.342 6272808.135 5732916.928 4053207.246 4209325.58 4239448.836 4343489.571 4206768.332 3861988.533 4444301.52 4071583.979 4419642.589 4071193.647 4937339.073 5053225.837 5190337.351 5377940.95 5197306.315 4861705.732 5205032.345 5733267.822 5283902.129 5356852.959 gamma-glutamylleucine 93010822.92 73998187.05 104277128.9 98378325.8 97461885.61 97107920.67 125424789.2 119238847.1 112192929.5 125131477.6 11114351.61 15142870.11 13920576.01 13550368.1 13607719.86 11929712.14 20628798.25 24667186.67 22810035.7 20579394.48 9967097.431 9186952.271 10794226.08 12462281.51 10785790.02 18987590.62 18917616.8 21628935.32 18088650.51 19663477.29 gamma-glutamylvaline 58640084.56 46252760.84 64692169.44 61420847.89 60921370.84 62665333.05 75974854.23 71801973.82 74793989.53 76757475.13 6645116.513 8567435.221 8400845.898 7815335.261 8095677.415 6482634.924 11312563.36 13144971.36 11408218.65 12404082.96 5256918.981 4906245.542 6084617.202 6661163.232 6357350.719 9192988.604 8723534.993 9873318.783 8831741.007 9321161.908 GDP 5186599.174 4232177.9 6740330.692 6144607.466 5254437.034 6447197.015 8041858.222 7450993.457 7245715.323 6998653.112 11880314.23 14336122.75 14359978.64 12741796.18 10958418.67 7800619.872 11396888.66 10190353.93 10289568.62 10544555.45 10417452.57 10935475.42 9375574.445 10281103.13 13562366.44 13672034.18 21711681.76 19997965.49 15605989.11 19586885.06 GDP-fucose 1850545.982 1768637.376 2245613.091 1949511.916 1956170.329 2001932.557 2609693.756 2461440.81 2445028.721 2752839.277 2436532.701 3628685.351 3173778.686 3287951.791 3540676.455 1872178.707 3256662.474 2837073.195 2732846.033 3091836.759 2768083.709 3838961.828 3031800.886 3083762.79 3491578.877 3424383.151 4454994.391 3783060.456 3057693.418 4097404.451 GDP-hexose 1140882.04 946109.1808 1366805.171 1172750.731 1195838.715 1356155.843 1559407.559 1566520.639 1514115.786 1673102.846 2407049.21 3575451.473 3110420.75 3307983.389 3295949.638 1704284.61 3208985.676 2555910.648 2445510.029 2899773.837 2337641.105 3118656.701 2318718.816 2541381.999 2840457.443 2634826.636 3877907.454 2882524.35 2499775.327 3464116.752 glucose 12365670.6 11636516.81 23619403.59 19429706.28 14803351.75 18134616.81 11711564.46 17221205.72 12100632.91 8787460.86 31627158.74 26693650.23 34619458.2 28372809.76 25466060.5 27947015.89 22603550.64 29626275.17 26362473.81 23367581.15 24275294.56 24352985.04 24856439.79 25529294.06 24001895.88 24171061.81 19502913.48 27003344.99 26162890.9 22637053.81 glucose 6-phosphate 35085253.88 18283979.63 42728745.13 48269290.66 35882403.93 37124880.54 24577607.03 44011065.58 32000234.95 19258633.97 73096158.82 86895487.62 90441313.09 95174880.14 89834980.85 52693410.09 67105746.89 73565078.68 72665152.53 74277482.34 56164889.12 62290459.23 72103583.57 80162208.08 76694685.51 67927776.46 68796082.8 78702470.59 71419698.16 83441560.82 glucuronate 1239381.692 1235281.286 1432851.403 1246678.937 1218865.483 1334798.676 1648525.937 1364698.412 1431577.445 1855032.08 2019440.24 3028887.686 2092054.661 2497519.421 2742201.311 1384869.783 2338992.217 2174357.08 2061766.423 2606209.162 2962690.204 3765200.941 2814648.852 2921355.82 3317704.539 2556721.095 2769943.301 2244833.652 2229155.679 2679868.654 glutamate 781051657.6 746963389.7 849894695 819089857.4 835395291.5 883652991 974373424.7 1000186650 954850459.5 985718279.2 219250644.2 264631973.6 239620053.3 247422518.9 261220440.1 221936443.3 293864890.7 274202820 270016642 290331391.7 195726434.3 229980849.5 208730193.2 214969649.1 215136648.4 251167975.5 292433372.6 263976299 248028627.8 269788283.9 glutamine 3304274789 2085390924 3442034806 3830688319 3304209374 3725078361 2889559465 3947814848 3056022580 2177294174 5830739564 6809210940 6345386755 6853012015 6669072689 5322888796 6760635076 6758406365 6623256731 6721368721 4920064947 4963328097 5419473137 5553434877 5415956990 5866094671 5973437101 6368721198 5763767925 6317730220 glutathione reduced 1029666073 917954447 1123391844 1180456724 1119887843 993249398.5 994583606.7 1070232995 994317058.4 1026517054 1679072491 2219425532 1928018457 2051206431 2220228575 1246979588 1872228951 1703367879 1648052431 1778006492 1770169082 2173340182 1950784312 1970146873 2041539938 1709063817 2097268814 1909363782 1697328237 2076141121 glyceraldehyde 3-phosphate 41668510.73 33708701.42 43689932.84 45908592.06 44745065.21 42737251.78 45366109.09 47354053.83 46323190.45 44498272.43 42927605.32 58844936.82 47452232.18 55230906.37 57532560.73 26474318.68 47898151.48 49120651.43 41664532.51 48156189.16 36020415.75 42980633.87 39480805 39004355.49 44350337.73 35872160.96 42351613.13 36480678.04 30363003.8 40729140.45 glycerol 2-phosphate 286317852.1 214640996.5 326625364 361657538.5 334228948.3 384136123.5 346264575.1 448458912 391292372 342219279.1 182530305.8 137574070.5 193931542 159637395.3 134022175.2 227455069.6 155772049.7 185032457.3 189705419 167430246.7 130626620.4 121714754.1 175802047.8 172139776.1 157454464.3 178924166.2 159390599.2 206688997.1 185715994.4 192761120.4 glycerol 3-phosphate 17865265.12 10274603.45 19106218.64 21459128.19 17870188.71 25999222.44 22365957.44 26388518.11 21513409.76 20593035.95 54037451.67 66019035.61 61527388.05 58990175.32 59393418.5 41583811.45 51518114.67 59079361.18 56496418.14 57521978.08 35907624.5 39969642.08 38174901.46 43834999.58 45693094.21 39068657.76 46270652.97 44763524.14 37724598.95 49005570.66 glycerophosphocholine 21972161166 16208988573 24647548324 27353846661 24116472138 28525132021 24730137336 30824912522 26779093746 24009319389 16706198902 14088391824 18295255346 15498250317 12879969347 18847189895 14731771544 17324741394 17090431301 14857976322 12442725836 11531404470 15856203234 16564320640 14836320750 16618717545 15626873049 20092798749 17217146791 18053112549 Glycine 79542511.97 64683548.17 91366246.91 93282108.71 91603282.99 84254244.13 96920836.23 105771270.9 96865203.11 102356330 135982676.7 156444632.8 150567158.6 152917929.6 202146158.6 120037196.6 133200240.1 160589816.5 138851950.9 148435084 139831437.4 149031754.8 180879725 204166231.6 200863122.6 175719298.2 172343872.4 225225049.9 179765620.6 214006575.7 Glycyl-Aspartate 8198149.073 6470648.653 9004927.065 9400210.955 8902171.002 8977941.015 9672428.522 10231585.51 9514700.839 9418041.002 6683283.903 7606415.741 8004812.94 7598878.41 7309174.543 5781580.775 6872657.995 7983770.607 7381175.166 7115414.968 4968622.552 5232870.226 5918001.181 6294748.884 6167296.118 6108503.444 6373862.084 6821600.707 6230214.795 7074815.561 Glycyl-Glutamate 129543798.1 134861853.1 143497254.7 119583405.4 141669681.7 123525871.2 186036894.4 144457452.5 169919720.9 217004895.2 24326122.11 29723499.69 27802548.06 26492767.44 26215067.99 24138562.18 43009415.38 44609897.12 43013261.98 42927378.77 42742618.1 41319076.23 44735408.17 48299167.48 44535984.85 67947891.5 68943931.92 74525262.09 69571829.71 72497105.45 Glycyl-Proline 35769084.81 24590587.42 40232478.37 42372697.85 36555019.48 37554497.97 38490615.06 45519209.55 34380699.4 34118584.76 36241901.39 50761456.88 42945242.22 46567867.23 50473430.21 29880998.99 45910889.45 48094390.9 43092301.63 46430179.3 29717928.06 35382347.38 35415429.28 36706693.46 36853098.94 37729234.47 40750659.61 43426850.88 36470494.61 44153502.28 Glycyl-Serine 3103456.915 2152949.363 3528889.397 3686991.908 3165735.371 3595778.932 2886246.726 3760336.54 3163850.653 2299133.355 2571589.092 2999854.915 2684277.839 2835019.356 3242283.617 2070127.052 3051073.38 3198363.8 2878409.59 3106221.777 1534878.728 1607917.702 1781004.847 1731083.657 1857523.714 1830126.164 1723731.964 1887332.959 1792211.832 1761094.269 GMP 4452340.332 4322702.444 3795567.489 5524753.136 5411393.518 3846547.086 5849873.15 4801689.83 4673939.954 5460205.418 4404331.618 4926698.716 4627875.49 5063396.473 4790428.502 4001152.144 4318465.549 3708159.061 5107565.55 5088287.696 2975299.942 3311838.93 3029869.031 3375150.366 3610712.523 3589387.07 4398809.165 4036946.13 3636409.291 4207966.818 guanosine 2332863.276 2095345.495 2659273.938 2457211.147 2546975.856 2261743.965 3035739.84 2925910.957 2896760.908 3436133.611 3264379.039 2397190.171 3242031.12 2945264.779 1578163.935 3141475.263 2225293.276 3099381.618 3212054.968 2399150.999 2163886.485 2196306.086 2483699.73 2613030.551 2434649.337 2824927.725 3055176.141 3476193.024 2798011.828 3414350.806 hexadecanoylcarnitine 3822511.663 3447046.671 3896050.74 4176054.457 4027292.179 3582747.906 3728110.36 4778877.211 4757058.237 4194308.04 4594042.941 2033403.696 4078369.374 3075056.553 1662867.556 4941627.648 1557651.371 3311147.165 2967279.046 2050899.89 4900755.855 3919999.433 6020089.641 6006228.034 5487737.905 5309764.354 4496928.866 6381959.104 15657995.2 6137154.616 hexanoate 2953549.318 3836025.842 3318007.882 3596167.184 3096757.529 2926207.878 2869947.206 3175924.286 3479769.793 3091450.176 3274828.027 3050725.084 3033345.705 3223646.915 3242944.456 3005872.155 2717348.422 2822544.022 3615949.748 3085863.049 3246167.532 3403136.848 3410425.692 3328258.893 2956585.877 3201926.786 3305259.362 3187624.208 3338280.579 2906995.472 hexanoylcarnitine 3749869.952 3059442.774 4585663.243 3988600.686 3707197.836 3593996.362 3735260.542 3714572.161 4010742.96 3907176.796 7397648.52 7182861.726 7625806.941 7582650.449 6214099.148 6542652.39 6132190.218 7665888.696 7041290.085 6046300.295 10366711.81 9774094.342 12757400.06 12996278.88 12692951.75 11633310.95 10391333.62 13557497.56 11906433.79 13071647.86 hexitol 899646554.9 225721924.5 903513120.9 1598133074 755364786.7 1921330274 506287483.2 1451150383 633676283.3 238725294.2 1195581620 462147625.2 1128878078 633112663.2 398846210.2 2378491173 469644261.2 940332869.5 895403567.4 551578835.4 644442255.5 410022255.7 1169093401 1165106215 933137150.2 1005841925 548351476.4 1371753639 1309321748 987982098.1 hexosamine phosphates 11921112.94 10143009.18 12810506.35 14096847.01 12434638.98 14558961.58 12994668.75 15045492.5 13449100.52 12980089.79 7877954.136 8064954.49 8226322.571 8217437.138 7532176.426 9054688.957 7871193.971 9395179.567 9376283.734 8454425.861 9292907.432 10211999.47 10121799.66 10985410.54 10581236.97 11617007.99 12108754.16 12598506.48 12118514.36 12381880.6 histidine 541445765.2 415532989.1 577932540.8 604225572.3 520168430.1 555708938.4 517338126 550058488.2 450962406.1 435947098.7 582328273 771671511.4 625143381.9 660073362.1 709865502 461209420.7 618123352.7 684662991.4 621601702.3 568402921.6 446961430.5 468914148.3 449978307.5 477117135.1 486181660.8 480987021.3 487365997.8 495966094.9 465887826.8 502793491.1 Histidinyl-Isoleucine 1073319.358 836684.6097 785047.1099 1342166.597 1358624.563 1010330.045 1042595.978 1309795.91 1394232.982 1211852.844 1070616.197 1708796.133 1420636.232 1648190.388 1471100.065 1012371.887 1113175.431 1284489.519 1370115.606 1267237.298 726617.9751 896555.9726 771224.5911 1043897.805 963171.8876 911487.4275 1100679.145 1179100.668 986086.2909 1161815.771 Histidinyl-Valine 1082393.259 879838.5437 1134517.965 1403780.959 1337539.329 1146037.777 1156336.319 1412132.784 1435023.169 1299370.138 1154983.312 1698141.321 1460710.851 1597478.405 1341713.122 941775.5462 1172912.266 1296450.864 1203579.062 1062976.49 810147.7197 872280.6063 904255.8866 989677.0658 1001798.149 1004715.664 1091931.208 1227510.335 718887.5093 1171950.254 homoarginine 4521083.303 2418115.626 5808921.439 5513844.114 4082420.184 4556160.609 4576622.968 5261433.47 4188897.822 4071726.097 6388961.659 11069023.16 7869983.192 8608943.217 9773461.336 4764924 9515253.751 9358847.544 8378866.939 9068245.898 4847377.48 6535034.599 3990328.19 5577850.466 5613256.675 5742157.529 6875700.892 6017641.11 5195234.761 6742635.97 homocitrulline 3136140.735 2602400.256 3574530.83 3622339.415 3406270.243 3372117.846 3584410.047 3765924.463 3484471.999 3376556.07 1478613.078 1872376.999 1637609.585 1883772.082 2219939.564 1198552.427 1854893.058 1649687.926 1531214.102 1650479.225 1113839.079 1138541.413 993987.5356 1151644.989 1369807.057 1294997.217 1328880.995 1449452.471 1134615.907 1281977 hydroquinone 1716932.08 568697.9009 2026204.035 2870252.523 2084316.086 3046455.588 1390418.874 2959440.447 2114771.85 723624.1965 2888173.289 1732033.848 3183657.397 2204523.702 1613721.321 4308390.388 1537121.409 2190483.926 2604063.945 1735127.56 1880310.417 1477031.256 2842196.761 2511453.735 2289712.444 2360601.617 2082822.672 3196617.447 3130696.356 3123863.842 hydroxybutyrylcarnitine 8376373.727 5611431.054 9441484.85 10548869.09 9659869.028 9693974.351 9288162.691 11310120.5 10171990.11 9114354.484 28169387.78 11452791.21 26793819.62 17252147.4 8635619.844 27771926.6 8416838.107 16061180.44 16826679.45 9929538.911 7974787.509 7026204.983 10755498.41 10849928.3 9705591.041 7887864.686 7170109.535 9787762.767 8719334.776 9321994.172 hydroxyphenyllactate 26723210.53 18063045.31 30127685.44 34423481.35 31492461.24 31792821.39 31263289.1 38710512.16 35714842.05 28376485.05 16294241.83 20418326.51 19480200.09 19943741.21 19999893.23 15164330.72 20993089.77 22033210.73 20415941.95 20937960.73 6870922.7 7507732.905 7891733.15 8281410.608 8174852.685 8041520.54 9253769.405 9850558.004 8149554.445 9994637.697 hypotaurine 56019406.38 55433457.24 62270766.86 59939364.56 62215804.54 58284017.56 71492685.5 66385667.65 71471393.63 81840578.37 81152599.58 75111424.78 86115346.72 78693116.29 69705126 72526915.87 67559760.67 77982138.96 73043586.1 69737425.12 75993837.27 79476720.83 87524762.56 88971863.89 86800639.18 82202155.56 83266660.82 93546647.36 83708761.17 91949447.8 hypoxanthine 2912728.131 3094667.516 3994899.669 3378731.992 3523823.962 1909478.157 2842551.012 2503347.659 2857395.504 3723315.264 14988193.01 7221582.488 15645096.33 15482013.68 6360353.071 5321798.572 2472459.777 3340366.828 6322088.141 3560062.145 6815789.49 5053553.744 6897593.314 10772526.71 7059894.525 5420631.251 5010516.498 5043934.718 6315762.232 7678785.837 IMP 2569173.723 1415015.988 1775365.982 4890639.624 3064688.217 1840935.452 2388302.098 2753816.069 2175460.276 2081533.692 9833421.028 5396206.406 6919342.063 7006131.689 4914254.244 1955829.892 2905612.275 2173542.418 2707779.467 2804507.246 4583023.427 6451223.684 5275771.752 6579239.836 5599263.595 3904978.062 5886246.264 3837236.882 3950330.38 5526244.881 Indole-3-acrylate 347250930.5 228224001.8 384186032.7 425317792.4 376467759.1 400591080.1 355832609.4 469504868.8 369396100.8 311467633.5 320973550.4 423560773.2 385865741 404043787.3 402767642.1 267247645.3 341569746.2 375438147 361618571.8 341973288.5 172126849.9 185929008.5 201356559.1 218683480.9 210087382.2 205354506.1 212990743.9 241064844.8 208927787.1 242467514 Indole-3-aldehyde 1975909.813 1381049.447 2330455.48 2248084.059 2196255.552 2343668.864 1941768.695 2884207.697 2149327.016 1811620.189 1734325.375 2361857.546 2218670.409 2372332.711 2384169.375 1524816.158 1954904.007 1958342.346 2107183.664 2046809.831 998595.0971 1070431.926 1196623.409 1250241.948 1195544.596 1165086.397 1286270.425 1279786.013 1186939.195 1414986.687 Indole-3-lactate 1114533.152 730280.1942 1105740.427 1353968.447 1279181.853 1215490.826 1124374.608 1595278.83 1230651.687 979339.4037 1293891.768 1664683.064 1472749.112 1409681.606 1314447.319 1120525.804 1157816.336 1373498.507 1478348.576 1237402.8 817905.9584 830713.3382 811901.4987 921200.9346 996203.3372 889392.2169 970105.2794 991065.3224 813949.774 797707.1753 Indole-3-propionate 7772728.44 5093460.159 8788835.302 9605467.926 8454061.199 8821663.967 7702132.665 10382520.41 7794105.41 6435491.94 7367977.269 10048556.22 8732331.588 9176362.38 9070805.024 6143779.015 7827192.319 8990117.833 8176519.63 8310740.604 4372025.719 4416429.386 5018918.161 5119541.681 4986618.372 5199209.438 5400598.907 5989534.343 5057122.065 5983123.279 inosine 4030195.417 3101513.535 4403317.096 4391023.3 4715009.538 3874642.556 4574340.091 4703219.08 4219130.777 5261441.537 40655231.81 15012600.94 36871713.77 30821392.45 10823383.5 7254431.556 4043174.857 8195773.267 12055042.91 5328869.735 15004999.29 9274983.878 16592688.6 25585900.41 17844523.06 14528754.96 12430911.5 16094265.91 16281540.47 19840524.28 inositol 428203485.4 306217226.8 449492332.6 511893893.3 455197810.9 477138345.6 375280798.8 504557750.7 409646566.3 348164725.7 787422095.4 599708964.1 781070547.1 720055259.4 561124234.1 758947040.1 531054705 758436834.4 655714991.7 642980134 855859842.1 812507631.9 1078654510 1144623079 1074407870 913158047.5 755751554.2 992653867.6 883940245.9 928855430.2 isoleucine 2187748788 1495365848 2505165533 2621627287 2380089452 2513196608 2238297409 2819392200 2424615367 1941692759 2057485685 3164663528 2547430826 2924897010 2987612933 1652866966 2569750806 2653207914 2570342164 2630137069 1539466537 1577853296 1760985568 1894406602 1877890329 1765469727 1941844995 2054550770 1875821891 2097362546 ketoleucine 22635506.59 20946623.11 39205908.01 28844789.5 29715921.92 24817456.37 26866732.33 31872511 31506923.89 25283837.43 18183328.05 24537710.32 22948993.1 24582698.56 24557134.07 13293094.22 21385865.79 23132988.9 20489043.56 22273070.67 19780361.29 23562095.53 24307355.69 23012684.36 24687661.34 21895454.6 23545182.84 24616014.78 22051445.07 26898416.9 ketovaline 7833852.965 8287161.195 17411828.85 13272972.62 10739861.2 8691134.938 9515987.584 10500450.02 11252056.83 8941021.351 5551919.132 7953638.084 5698599.814 6910496.456 7574766.479 4496902.611 6442152.592 7293566.039 7212010.311 7114182.167 6725755.573 10631416.68 7276578.174 9277886.965 9348185.542 7033252.212 7976351.464 8231240.79 6706403.44 7441488.665 kynurenine 8465508.773 4987715.558 8502115.116 9874524.675 8197503.22 8552262.583 8495586.672 9604563.627 7025247.474 7123868.189 4487737.354 6865561.036 4662140.59 5554100.446 6858436.449 3289005.829 5887209.047 5978741.779 5541733.395 5658453.349 3507070.214 3354808.673 3611721.931 3919499.466 3686593.305 3767393.057 4307577.073 4333985.362 3823369.324 4553562.815 lactate 1543880468 1380668930 2225865352 1871848391 1926612464 1601084211 1822016711 2063885144 1894627208 1727569522 3403816289 4726766603 4077249232 4686814252 4676526716 1949054192 3774711099 3782728312 3399523122 3811800310 3483230056 4277031136 4056517529 4115025505 4312830527 3359626869 3923701683 3978252141 3267705531 4352636680 L-Cartinine 329927719.2 229744429 380921147.6 435818682 382041060 403703152.5 357868242.8 454843673.2 389199008.4 322089729.1 641632222.2 464211127.9 711360955.5 562894926.6 408241294.3 605225927.1 388184971.9 543482259.7 544364039.3 442526709.2 596752475.4 510846489.6 828617746.2 881601157.6 761247317.5 724686971.1 632190921 965527428.4 843829839.6 864414166.9 leucine 2288010521 1441896667 2429091443 2813519821 2372481449 2687206993 2332205188 3010406514 2243777579 1919159371 2737622920 3542821408 3148381498 3336241482 3281519810 2292651603 2955394192 3437737685 3165417510 3038388630 1695707721 1728505280 1971636523 2157717232 1979731223 2085804225 2152281668 2606931727 2098367327 2534781485 Leucyl-Glycine 10446809.1 7057253.378 10396199.9 12498563.1 11301730.91 11734165.95 11083622.16 12717828.12 10667560.06 10101138.9 14266134.02 16990976.18 17346881.16 16726231.36 14761393.37 11138579.77 12447881.76 15488646.07 14863736.11 12498849.87 8462617.191 8969061.271 9472339.853 10850819.05 10156658.26 9797474.357 12114149.54 15036812.05 11102228.52 12910572.72 Leucyl-Proline 34999791.08 24068873.62 33677412.02 42247587.94 38886281.55 37458994.09 37325309.62 42199984.61 39476420.98 34752004.64 16471800.46 22788536.59 19988072.9 22276299.23 20922927.53 12212364.45 18420363.73 21665807.6 19102137.32 19332316.09 11148287.8 12060889.04 12123892.77 13138186.48 13547631.96 12991040.5 14480605.43 15629750.78 12756711.75 16060889.13 Leucyl-Serine 3846204.086 3155499.47 4611803.891 4765747.774 4433970.308 4374007.471 4760208.914 4966401.605 4097724.96 4927823.78 4922744.783 6540939.672 5493189.851 5532244.971 5292344.894 3287047.806 4437833.336 5095821.182 5044315.375 4395113.811 2833610.161 3036239.503 2691074.469 3555218.724 3421453.116 3230921.674 4233009.155 4681824.762 3341220.542 4146704.295 Leucyl-Valine 1451620.39 901321.7881 1936448.868 1777351.514 1702561.365 1733970.117 1724757.281 1960147.712 1903744.954 1563314.208 2595414.646 3512058.748 3708465.394 3326327.456 2559051.924 2021686.232 2254853.129 2693438.872 3002912.128 2498396.446 1638106.84 1364417.499 1659256.83 1706818.962 2011677.246 1646227.722 2181999.027 2730856.112 2661835.138 2368828.22 linoleate 2478393.565 3653901.093 2775741.118 2603756.179 2374665.775 2682107.69 2307528.864 2053614.881 2405840.562 2302945.398 3745478.757 3440853.436 3643128.139 4568897.544 2894789.645 5991712.985 4054198.027 3108841.422 5797408.013 4200401.156 6277070.97 5455578.095 6577680.768 6516027.664 7571122.147 8272974.19 7186902.886 8330844.867 7631172.46 8275622.3 lysine 71342776.83 45747032.56 103769766.8 91218736.81 78029446.74 79884185.32 76978925.55 102833908.9 78561118.78 66309316.72 126078345.9 227850850.4 171591734.2 190833964.2 220084447.4 89076288.3 206159904.3 191230465.9 170896311.7 198094971.2 92547096.04 132828641.6 86870362.64 108916854.9 110744178.5 113281208.2 139252189.2 116370571.3 98106146.44 133918982.1 malate 503433597.5 446844984 571876785.9 532051621.5 551716770.2 485160104.1 564639249.1 548210529.9 584466806 568431197.2 80842949.79 81856958.64 86281149.54 87803580.79 81164650.59 48031540.76 63610407.19 83100888.49 68626080.9 68606128.81 58155606.02 52077072.03 68522288.87 69128996.67 70628967.17 47389601.94 36949594.32 53125173.17 45873644.19 48188804.61 methionine 1037019221 632632796.8 1099794212 1271476940 1084492023 1271275735 1040512728 1405456454 1066590284 851491223.7 1294811526 1631503608 1506034936 1578435568 1468098401 1134462884 1330187391 1664107477 1576610303 1431233313 740730796.8 708872716.5 876357032.7 942547905.2 866289221 1014355767 973065558.6 1200845146 1029773571 1136825477 methionine sulfone 9374110.363 5914310.819 10048155.65 11467812.05 9629137.185 9978446.275 9390279.076 11110389.94 8635776.256 7703809.961 9218156.042 13486418.61 11704496.14 11760434.61 11821436.32 7559730.773 10704635.9 12939007.15 11761336.57 10961543.83 6915628.972 6614442.494 7611897.506 8780702.056 8293849.434 8871316.806 8917155.486 10523231.12 8808495.569 9874353.151 methionine sulfoxide 20437486.68 13260595.66 24766670.55 24521452.37 19732693.12 23902170.52 22538403.25 24833226.27 22446162.99 18643984.47 15272708.9 18724106.74 18003898.68 16851714.51 18293806.5 17405254.92 19164148.58 24349857.57 22140156.48 20987135.12 10374347.64 9466222.071 12683421.03 13616328.49 13966064.17 13644527.44 20162340.89 16487486.31 15041521.01 16507600.99 methylimidazoleacetate 6843017.618 5477491.856 8002144.953 7854353.058 7369565.033 6940277.847 7598138.056 8207021.854 7814038.236 7768255.182 6895973.628 12847278.94 8256051.516 10875471.5 12467771.23 4575707.972 13001666.88 11737253.04 10967407.86 12403401.2 7863157.386 8713674.528 8621031.926 9559618.547 10519281.92 8325041.847 10130626.99 10152574.91 8123532.622 11361444.13 methylthioadenosine 20667408.61 12208176.33 16449096.62 20690832.85 15152535.68 22451145.8 26549753.41 18698058.55 14869533.83 20286953.07 13920231.77 22035226.3 14377648.93 13630708.05 16099731.91 10145570.99 15895528.59 24417305.22 15772788.38 13282797.44 17831172.78 18325834.95 15976379.95 22587364.89 23139907.54 22606543.95 21707627.01 25642992.23 19202581.94 22261869.86 myristate 11312806.59 15020171.52 11576612.98 14286821.37 12226916.85 10450281.18 10784282.17 12693371.07 13666562.25 12719727.72 19936249.47 25064596.84 30579981.64 20295529.57 16270563.53 15118048.75 12282261.4 14541843.67 13975505.7 15877128.49 12656668.65 17106157.92 17529687.14 17944052.41 18739840.56 13355981.11 16817967.21 19455712.29 19454594.47 19155821.37 myristoylcarnitine 2906064.762 1471791.716 3143803.144 3418699.09 3316631.111 3135654.416 3294011.055 3422786.552 3511814.951 3333010.628 2620172.678 1029982.033 2250187.598 1391854.594 954087.0878 3197849.052 816284.8324 1884485.636 1426579.515 1215829.258 2343730.235 1636084.914 3863060.182 3703625.301 3637497.677 3040766.094 2617900.639 3843311.658 5027738.075 3159301.173 N,N-dimethylarginine 18130163.91 14469640.91 22424605.54 21049023.37 21242088.42 17758002.5 18225593.56 21293737.26 19797390.94 17831460.22 25256084.22 47718059.09 31511797.19 41016549.1 48384549.65 16658814.11 46493848.95 41428853.14 35387851.23 45026958.81 19821083.29 26933613.04 22976526.93 23264908.92 25304480.26 26699211.4 33265529.56 30072937.09 23578321.21 33967540.08 N2-Acetylornithine 31866224.72 20190597.2 38403666.8 44388521.27 35889817.45 41579318.21 33657562.02 43998491.3 39978849.27 27304748.52 23607418.33 30699082.77 29471257.78 27971716.82 26875654.74 21651234.7 25268299.68 30017860.98 27676067.9 27545529.89 12107267.11 12116270.59 16308225.12 17404812.74 16037208.58 15983688.08 16176380.85 21058079.56 18304182.76 20072173.68 N2-gamma-Glutamylglutamine 9143159.56 6887007.956 10051253.45 10426828.08 9908265.429 10456043.06 8696106.266 10820151.48 9429640.421 7400050.548 10766589.06 12241161.76 12422097.89 12175054.89 11223130.96 8853240.118 10013363.86 11412585.35 10974915.48 10184608.36 7652304.364 7849194.573 8137590.017 8832602.221 8634994.639 8910389.427 8566219.663 9371001.445 9170224.795 9397001.46 N6,N6,N6-trimethyllysine 8054327.016 9355386.802 10489931.82 7918712.507 9811384.168 7566026.099 11063572.04 9883803.318 10543425.5 13142803.21 41248084 70460185.52 52438260.48 66321197.39 71314225.63 29258385.85 67550654.48 61376912.59 57691655.19 67813323.63 25618331.5 35391146.73 29020710.13 29790305.4 31751519.68 34017630.56 41359537.34 36452368.63 29499711.73 42217311.85 N6-acetyllysine 3796947.164 2849364.834 3971567.612 4129696.095 3993625.852 4078173.427 3575435.158 3872811.361 3874817.332 3897630.318 5104057.838 7315231.262 6062501.071 6587649.677 7223711.459 3804949.508 6696263.332 6499114.098 5813332.523 6099343.564 4356571.83 4663699.122 4841659.519 4969382.175 5118737.193 4697160.188 5275460.199 5456669.843 4781956.375 5815199.507 N6-methyllysine 8282436.952 7918044 8577976.638 9597937.787 10452222.57 7360245.461 7078485.798 8642884.383 7418163.113 7249389.329 10983788.17 12356376.27 11842218.84 13573307.1 14733081.9 10424719.22 13272059.69 14158356.74 11624741.69 13640789.87 11356794.43 12256977.39 16286617.01 14762487.44 14827566.26 13605524.62 12183662.73 13681089.8 12344069.05 13921664.56 N-acetylalanine 14507807.8 12822592.34 16456149.14 17217338.54 17491925.78 14836533.98 17535844.02 18014333.68 18374681.81 17951415.75 7088943.967 7767696.586 8116724.253 8266863.311 7032064.451 5189349.419 6369319.236 7951580.784 7582329.367 7089878.499 8481448.334 9594866.8 10024332.53 10093587.16 10763635.35 8617522.563 10279374.12 10305345.3 8670299.341 11473936.83 N-acetylaspartate 49787149.06 60535891.01 55028509.58 51412592.01 55955948.39 37022957.85 49965900.35 41988661.29 47884081.93 63013397.67 16511147.05 15077340.3 16508981.54 15614105.07 14706957.49 15550242.07 14688575.41 15683136.71 15100752.98 15241406.53 13287720.45 12366238.72 12599724.91 12969106.7 12635415.94 12542703.54 12153942.74 12979870.14 12815597.89 12586888.38 N-acetylaspartylglutamate 7867207.228 7508957.836 7997218.811 8090364.647 9041747.121 6762128.758 8834757.432 8438953.783 9094421.111 9794258.014 1934195.281 2496575.044 2333777.177 2584108.622 2555979.845 1230277.788 2555146.183 2602076.442 2290438.589 2642538.246 1067304.98 1112284.356 1284391.689 1231293.884 1385700.935 1232974.092 1362959.798 1198606.434 1055285.106 1334309.244 N-acetylglucosamine 1401494.899 1347825.748 2405005.059 1898129.81 1760991.006 1596350.895 1976100.018 1977462.655 1921026.711 2147393.403 1595253.145 2324080.582 2044786.653 2261496.302 2451714.236 1253385.446 2127821.715 2314392.275 2416416.35 2265477.773 1985058.989 2289766.967 2363890.98 2586008.746 2451222.48 2673596.756 3170382.359 3621361.084 2765819.266 3449860.001 N-acetylglutamate 23412659.02 22890007.87 26279598.98 25205936.55 27275544.87 23520168.84 29801344.71 26969987.95 29938210.23 32549103.79 7386673.062 8171737.778 7751051.211 8077311.422 7838474.268 6742832.939 8419985.872 8291599.377 7894662.439 7872112.685 6290077.706 8390426.784 6634988.891 6909135.63 6807318.326 7041118.307 7982723.784 7518292.101 7147236.599 7724006.832 N-acetylglutamine 53279722.28 29758321.37 58586039.52 66158205.96 55067382.81 63618707.32 55525869.36 71446844.81 55218519.67 44108095.75 66201106.37 53581028.57 71927656.66 64534948.63 43858442.03 62226720.06 43037203.45 75307528.32 73181679.65 51186214.07 53103907.57 41880355.63 70581529.35 78316212.7 67651763.45 74109857.61 60763087.13 94352417.88 79531847.59 84801056.86 N-acetylhistidine 995932.5959 2719364.465 9063661.448 3153621.577 3709108.789 2344484.83 2555842.354 4414412.958 2399003.512 2141533.341 4286690.455 2865290.027 6733107.835 4728527.017 3092240.16 3926032.674 4049247.598 5032610.78 3645006.984 1906079.313 4090927.913 6503128.349 1615690.722 1539303.414 1096181.76 2230656.821 2001353.592 2078583.659 2469703.379 1409732.06 N-acetylleucine 2758411.935 2164166.445 3064873.452 3493673.621 3227636.443 3213873.251 2762357.904 4174899.325 3432802.145 2513526.574 3458328.698 3424362.055 3966758.183 4138355.826 3508861.118 3387915.825 3263428.427 4081186.601 3700638.635 3653917.738 2000380.953 1992229.36 2863699.17 2720367.614 2371902.06 2547298.049 2297918.318 2851232.777 2717844.2 2862088.32 N-acetylmethionine 20480470.91 15753640.07 20805250.66 24491035.74 22400114.3 21605849.11 21592427.19 25642573.56 23799162.47 20330137.75 17082769.37 20286751.19 19211437.42 21270393.41 19711126.79 11014439.58 16933091.88 19169350.47 17833133.8 18752866.66 14407942.66 17108854.83 17147878.8 18483169.14 18728808.85 18087491.01 19665371.67 20215052.22 15961354.73 22186007.47 N-acetylneuraminate 7715498.89 6948831.187 8665198.805 8443308.723 7945792.84 7738048.85 8801134.601 8016933.63 8712023.821 9553160.228 22422732.77 29162039.69 26266117.47 28516790.56 24474464.98 14401925.18 19530437.81 20767378.41 21001194.7 18441304.87 18289645.53 21727116.53 19859712.01 20250231.01 21651221.03 17953345.22 24503734.17 22893798.28 19130028.01 23695649.37 N-acetylputrescine 6564006.382 6482958.873 7594006.028 6924645.951 6494962.835 7478895.587 8312677.522 8896013.474 7953089.791 8436962.235 436462.7904 1572121.683 653571.1341 1290840.843 1958236.841 738257.18 3243902.192 1344996.312 1260111.5 2892411.656 1662271.064 2288678.048 1837543.165 1685575.15 1925108.505 2282841.862 3266712.872 2466182.925 2151664.823 2698096.328 N-acetylserine 365631575.4 263831334.5 396869381.8 438202346.5 415672680.1 396511045.9 398263397.5 475556632.3 409229325.7 366871159.4 222065963.4 157209467.3 241394516.8 203583122.7 141709719 187439146.6 124290341.1 185447063.5 185025063.3 140393718.7 141296178 129343271.7 192373647.3 197620874.3 179274484.5 178287652.9 161432077.5 225058836.3 192978384.7 212573832.6 N-acetylthreonine 30026499.62 25390841.12 33355862.76 35861785.34 36204911.05 31769683.22 36832166.67 38620318.42 40406169.33 37035927.44 17725492.08 16256715.83 20237199.14 18979248.2 14823487.8 14842954.19 14844976.86 18416150.98 17811031.62 15400077.86 14079465.5 14594157.75 18029767.53 18957609.93 18687775.02 17464115.65 18180160.46 20885340.29 17896130.7 21807447.25 NAD 142675189.1 139762562 165771445.3 154788999.1 164822361.8 140735381.4 176774940.9 165758068.9 174850006.6 201421244.3 149691635.6 199211305.9 173796577.8 184703744.3 197616360.3 114819874.8 183548607 168490538.7 166157063.1 179471772.5 149517784.9 174785216.5 161430559.6 166505321 180316441.8 158503056.4 194135291.1 180368004.4 154966311.1 198077320.3 NADH 238595.0794 173559.6042 472138.0454 139338.6047 25766.37109 2811585.294 2940550.045 2586800.014 935740.1396 1265772.199 8858929.558 14531147.12 10456765.62 9945786.719 9782832.171 3455571.492 10221055.12 6542737.673 3083883.708 4267145.435 3270237.08 10560015.75 5176060.914 1183426.823 1899663.031 2989734.657 4634101.444 3750847.861 1335898.847 2740204.854 NADP 4170882.813 3324344.446 5434216.76 5648758.31 5156108.215 5294432.649 5057841.67 5946931.692 5782287.891 5016401.498 8594095.004 7205798.922 9908813.088 7517556.276 5800721.474 8134184.953 5390349.251 7204874.268 7666348.27 5843387.592 6244310.201 5377330.639 7499449.105 8129079.507 7878774.148 7999047.118 9624579.298 10900765.54 9020362.844 9629361.088 NADPH 2174609.856 1632162.025 3651166.378 2386688.601 2260617.117 4093953.679 3686767.813 4980696.575 3258382.366 3187372.068 4544038.617 3169471.424 4616146.115 4632946.461 3091099.431 2390093.743 2861544.449 3112146.73 2095647.329 2218288.038 3529553.798 3463452.164 4149196.882 2865160.235 3421008.754 3490487.734 1878226.259 3843995.47 3445769.51 3869443.93 N-alpha-acetyllysine 2266712.037 1656080.17 2580984.515 2817107.789 2141785.79 2383767.116 2702037.061 2854130.688 2432837.48 2335067.608 4027844.404 2021901.781 4192512.106 2534548.254 2043886.531 3858669.575 1766611.595 2300979.99 2311806.989 1608099.795 5064122.434 3821188.709 7482110.26 7554265.833 5992136.336 4852791.686 3253970.113 6133193.939 5986537.689 4943243.652 N-carbamoylaspartate 4787692.057 4324843.236 4354666.992 4032813.248 4595686.948 4290986.736 5046512.522 4546806.251 4430772.643 4651411.942 1380892.245 2660711.083 1506392.915 2164723.278 2716509.948 722444.9735 2488161.387 2218126.807 1684078.752 2295446.49 4294068.27 4680751.676 4958231.252 4968721.632 5286211.281 4063633.885 4077541.717 3745214.714 3242543.624 4108908.927 nervonate 5122985.776 8514488.068 5552454.654 5086228.958 4560303.373 4906151.032 4412161.636 3988739.47 3397058.547 3900137.824 1703939.386 1056370.047 1082219.934 1309430.336 1126232.108 2116927.854 1474363.121 1752538.039 1531290.278 2119368.793 3470026.545 1792549.909 3732579.627 3380940.318 4528479.084 4660923.004 3541018.359 3469251.255 3398167.404 3527750.139 nicotinamide 46119991.94 44106369.13 61619157.92 57026795.84 59128006.29 45965555.47 51797972.67 57301671.41 53900876.69 56696576.09 42598221.18 48608313.26 53960832.38 55846418.96 46950160.54 37079981.12 36625522.3 42719453.12 47908669.52 38141110.78 34780840.11 44100980.49 36658637.39 43207091.81 39014419.82 36652581.4 46831325.54 45163049.59 46742391.22 52151732.08 oleate 32623739.47 51873333.79 43138092.02 35206756.99 33336803.6 33701409.03 33453305.51 30241763.51 31447853.77 33441752.82 36870807.88 32591467.51 37186915.32 36978354.36 29866692.68 43569009.24 30329770.16 31550104.86 39246638.99 32554478.22 45865185.75 42186606.29 49785963.05 49708208.1 54676883.94 49755325.81 48193556.14 52218361.38 47680170.99 54017302.35 ophthalmate 37691928.08 35418128.35 40218956.2 33786743.21 40184296.6 28673261.39 47302791.43 35601025.88 42109157.58 51930074.14 3580888.804 6396095.321 4573790.863 5495705.137 5543106.272 3035936.375 9705531.253 9757070.16 9192773.786 9780670.844 7161382.363 7307827.114 8105183.097 8145878.873 8089229.459 15742133.49 17081409.52 17242055.9 14157930.48 17220273.79 ornithine 25198310.32 17017557.71 28730168.31 28978772.57 26895539.35 25561479.71 24478556.86 28892479.22 24929074.15 22046613.43 14305562.13 20762062.27 16902576.87 18779641.43 21801326.95 12805359.83 20457764.9 20811569.03 17907891.67 20421623.67 9847615.132 11829011.41 10216956.68 10948337.47 11094278.22 11098034.1 10556728.17 10325946.99 9670652.243 10605834.96 orotate 3392208.088 4079760.202 5002630.589 4942544.086 4488920.859 1662571.1 2002221.091 2573847.412 3083954.424 2946365.299 1341766.393 2843790.761 1771289.274 2787022.474 3152621.873 761448.6023 2392430.438 2058787.772 2285086.98 2298584.109 1803362.966 2164219.865 1700967.765 2857713.667 2663884.594 2078418.674 2869492.626 2840769.498 2426195.751 3567747.744 oxalate 5060104.468 4409282.561 5206832.976 5140085.268 5287905.401 5306095.288 5670582.948 5009282.487 4553798.03 5442202.941 6048241.681 7891953.127 5680962.642 5087784.159 4801837.993 6057081.703 5151230.883 5572983.621 6953125.755 4167877.286 5464250.614 5617340.416 4336402.701 5087112.173 5509627.725 5294330.517 5326554.717 5490592.038 7988752.203 5750650.907 oxidized glutathione 13530508.67 10572870.02 14199391.37 14868447.58 13650528.8 12226869.77 11932962.62 14587577.63 11104845.85 14222590.11 16853989.94 29001589.15 22190213.92 27254973.81 29139144.66 14908177.34 22223089.7 20857594.84 18552746.48 20166953.39 19865596.67 28177935.73 20684270.55 25107882.04 24275284.17 18677696.56 25147966.7 19810467.56 17264766.22 23113920.16 palmitate 230200986.3 141396273.6 155412883.7 279570452.3 224645070.1 263529778.2 105876113.3 173715250.2 193609427.7 141023286.1 502493046.4 409399955.8 606107616.5 534764666.5 207993105.3 572380202.3 153745186.9 475415151.5 277681965.2 523226786.4 187625531.5 468772429.1 469106234.4 477887771 613823163.4 216673663.4 185785100.7 229694287.7 225267002.3 292483710.1 palmitoleate 10667643.35 21695676.46 12901403.01 10807035.95 11949423.69 10307164.85 13116450.23 10594303.15 11525007.63 13184594.18 14247629.17 13116059.39 14436462.59 14716616.94 12935723.44 14588683.69 13661439.55 14754849.93 14753619.24 19652371.5 27569018.41 24049580.6 31553503.23 29339190.89 36826144.05 35597649.27 34444994.64 35578406.96 31278652.46 39273994.16 palmitoyl sphingomyelin 548385502.6 872258075.6 514866170.1 502414683 440090399 481531838.1 438161585.1 360524541.9 337322776.9 382009748.9 291220012.9 192632330.5 249661498.2 255858340.1 239561487.3 295187562.4 221960276.4 294574436.5 283342246.8 343780738.3 322647864 241654505.5 337520434.6 337917625.1 471132348.2 410966000.3 271437824.4 261113254.7 346261403.5 287097583.2 palmitoylethanolamide 72992258.85 139495165.1 81342482.62 74625498.32 82600416.09 59150940.02 82732674.06 63481516.38 76100029.73 92808879.06 65541081.75 76926377.78 68252491.77 73563550.48 67989121.61 52940602.95 63831227.17 74411122.79 69986404.25 78939036.24 51200028.09 47162109.06 58296903.13 57751990.21 64501052.45 56563709.54 60680407.1 56013966.79 50064060.41 65121748.32 pantothenate 1004418475 864854006.9 1175431145 1151757330 1149875548 1067347968 1296168999 1306814246 1257676489 1283802675 546001007 921658945.3 672175856.4 772963446.4 875177029.4 522069259.7 989003957.9 972461944.5 889313443 976007293.2 533497282.9 624265766.7 576435578.4 633333395.5 642779801.4 695962626 815721347.7 769081339.3 697503017 832912828.6 pentitol 84394363.3 43787249.12 86248367.52 127113522.7 101643779.8 129047696.4 85463346.45 141217253.6 109287696.1 62999920.96 57467173.81 31447974.29 59885142.57 43431730.64 27214134.91 76779772.37 29984109.39 46845015.4 47663993.11 35058846.38 58173015.41 44757351.33 87054560.42 89744451.69 73116970.43 73835567.17 56970912.42 99064032.99 86915753.06 82972549.01 pentose phosphate 37508468.5 17199138.94 44532287.68 47487921.63 33663646.6 47658099.25 39762763.79 50966261.33 39811862.49 29393622.01 63118694.96 69999623.98 73119901.4 70357437.83 64077341.14 41302183.16 57619401.28 66217755.68 66901040.99 60730733.93 91157347.46 102773672.4 103308533.6 114613928.8 115326833.2 95902629.21 113501871.6 120945981.3 104343054.8 123033678.9 phenylalanine 2731659841 1706755918 3060776176 3394948803 2912884600 3178699030 2781967255 3623309196 2819955360 2309930159 2604973379 3465725298 3027466158 3210355306 3168143112 2089884508 2720471950 3128059996 2931799737 2764429569 1435889963 1517993355 1693228370 1857087233 1759279452 1748894278 1812340353 2105111207 1792846315 2063011395 phenylalanylalanine 2104023.078 1395233.144 1606724.219 2114738.558 2009357.749 2287887.588 2068196.545 2380477.119 2203970.935 1836575.741 2319861.535 2859721.698 2968246.803 2787702.988 2212174.513 1986853.453 2179397.609 2395692.029 2397198.702 1941764.291 1942429.083 1839501.993 1639814.554 2017180.828 1788310.931 1597433.47 2325507.435 2678625.521 2246649.655 2261600.344 phenylalanylproline 5045485.133 3240691.887 4594664.567 6077623.167 5823532.39 5405592.676 5536357.947 6314561.954 5944958.156 4801285.243 2559342.112 3308658.303 3087321.891 3245121.569 2995628 1790302.141 2425581.567 3300112.737 2661504.887 2508932.231 1698426.258 1806529.433 1845350.049 2118178.767 1874048.111 1788256.632 2007657.237 2091327.631 1816302.444 2459437.164 phosphocreatine 199381675.1 174869362.2 229294909.6 222472099.1 221434051.2 219971783.3 249009215.5 261063666.9 251177871.1 258135276 150285311.8 138835136.8 168677710 146467252.2 120245707.9 173654277 136415598.1 174070959.2 178363672.4 145504403.4 99913029.03 95518339.4 117189088.8 119302615.4 109848128.8 134719547.5 125306984.8 157445539.1 140110996.6 146512274.5 phosphoenolpyruvate 6036505.177 4750474.892 4482366.953 5459477.476 5960698.344 4678470.439 4640701.69 4845760.459 4823825.337 5225641.435 2845142.392 6398439.468 4595855.578 5046601.603 4628012.774 2509616.254 3185122.875 3032664.598 3801798.304 3020518.135 3696854.444 5096490.188 5062213.852 3826754.165 5228007.708 4229583.296 5246945.761 6129314.597 4155557.118 5214059.858 phosphorylcholine 16639653623 14533153845 18308575949 18665476831 18095585060 16779870393 17775303077 18891264837 17776835248 17516575623 16977441558 22293079076 19583854117 20330580855 20180867915 13499880281 20162039170 19273462320 18672556474 19297828740 14662633131 16047302105 16778946763 17582083503 17221531489 17487630054 19657493324 20395040073 17089733177 20992458290 proline 9003001464 7720339475 10127938031 10197742978 10235223389 9492338118 10208668861 10870108408 10556852983 9797896854 3420388675 4074979737 3892130229 4015289446 3932604956 2986800884 3548420305 3694530543 3584831196 3570954179 1714217884 1631759616 2065650546 2101740677 2094879137 2024535243 2068422101 2485124289 2108469037 2408588153 Prolyl-Alanine 24423797.91 17547678.72 26474680.34 27504488 26732669.29 25467745.97 26982765.36 30433049.11 27248286.06 24447363.15 21319603.75 39875113.02 26061226.45 33672817.01 39057120.75 14174319.55 35683808.23 32295054.1 28110258.66 34691409.55 21138416.84 27376753.4 23078792.86 25990181.24 26947020.27 26115695.25 33119572.81 30126107.17 25250862.75 34746627.16 pseudouridine 5684350.039 5762109.835 6881244.808 6643316.707 7096277.815 5877622.296 6583806.6 7070524.346 7039389.499 7066831.674 5778733.129 6543251.047 6655082.812 7396749.029 6737421.924 5042344.015 6099954.961 6350543.208 5763049.435 6188810.46 4856201.277 5383888.617 5967732.261 5727892.154 5584214.895 5418631.644 5549523.043 6241243.711 5477893.865 6282659.124 pyridoxal 4361697.851 4002865.764 5733408.343 5151625.484 4915647.096 4455606.406 5847328.335 5418067.53 5564545.878 6116766.465 5322938.05 7505438.761 6495647.648 7029409.412 6317192.7 4619011.589 6003015.028 6513228.958 6139925.408 6244676.134 5012053.581 5815459.79 5289408.528 5748203.469 6560976.189 6052727.694 7251100.533 6713970.927 5915865.656 7670094.18 pyridoxine 252763485.9 206309423.4 333760331.5 319686342.8 297097989.8 301751769.1 306693886.1 354732784.6 309056346.5 296630931.6 297465897.5 366365554.7 356629549.9 351331989.4 334135772.2 251502389.4 309736552.2 353434039.8 316216334.1 307612132.8 264799588 303156266 301202103.7 314843823.4 314165394 303589298.2 322734973.3 363053919.7 311226985.1 355763423.8 pyroglutamate 997006921 911328779.3 1069952756 1115272311 1184112717 1069265357 1170992971 1293079725 1199543421 1136146698 1536538996 1697427843 1765873219 1879411565 1782792646 1093827366 1616658021 1621412575 1521783388 1540020664 1396159778 1622715130 1621503751 1633817405 1645844061 1432337678 1591115061 1673688956 1430098715 1740386301 pyruvate 52248443.49 43987528.93 76802622.49 67072959.39 64503357.77 55468370.03 58514024.24 73717812.48 55733340.59 48784184.1 40751293.7 30018909.46 48316628.13 35164750.86 23804637.58 20402413.7 18050616 37773629.66 24956489.63 17866478.56 16756963.53 14659429.7 21027504.36 21351818.9 18451679.51 17709980.29 11912764.93 25126539.86 26666253.81 17359072.42 quinoline 1303494.38 806101.4386 1317055.744 1394997.733 1326417.879 1454608.943 1272232.492 1644157.251 1265646.579 1077683.395 1175364.193 1464785.525 1315697.248 1307034.127 1317088.186 831506.1778 1096573.493 1322576.311 1305980.444 1193740.599 574707.1098 730572.0987 691373.769 844283.3528 781984.1649 713269.0748 703971.7556 883365.867 750110.6147 814252.4783 riboflavin 662219.6584 647905.7269 1350893.651 804420.9576 812909.0416 702138.7761 789089.9544 932101.3521 876154.6027 1054101.176 682988.1825 872578.4545 985695.5925 945808.291 930564.4273 387974.4704 965839.1604 659471.3936 636291.098 689180.7789 619949.1353 1016738.59 695717.2809 674731.1249 650722.1468 673042.87 553067.6243 565590.6959 411749.7463 754736.3973 Ribothymidine 30841144.89 25127103.24 28921801.94 35886208.71 33976451.34 34592515.05 36630184.54 36140129.11 35240129.2 33825561.26 52458917.46 56470099.2 56911892.85 56715903.78 52021580.61 32139741.11 46630199.36 53309682.18 45429695.53 41477242.29 42224089.47 46346369.2 47581110.93 53897738.53 53693330.5 41151896.27 45132890.52 53485874.4 43253668.45 49654684.39 S-(2-succinyl)cysteine 393063.5586 302217.3579 424230.812 472545.7851 374784.3667 382802.9682 418221.8893 422188.338 322891.5167 399430.6571 101672485.5 101076748.7 118160422.7 102947949.5 95451943.33 78657078.87 62502592.89 74775626.9 74991668.88 60850309.57 69533920.88 76351786.61 80641947.35 89919125.84 86830043.05 68939510.2 70070974.59 78534686.53 69331996.19 78806585.38 S-adenosylhomocysteine 3920983.556 2679437.13 4080594.073 4186282.936 3341074.4 5987825.95 3697355.714 3441427.616 2930372.943 3431973.556 1363817.807 1906332.463 1542950.508 1866960.335 1948122.575 1555901.069 2145218.112 2526332.894 2481476.565 2330400.505 1373796.894 1689609.93 1688838.403 2351317.485 2057503.641 2088469.155 2367894.508 2029591.212 2155488.529 2511612.852 S-adenosylmethionine 183945892.1 207936313 198215135.9 188263319.8 212733710.7 183099309.3 233642950.1 207319516.1 231949959.1 250304533.1 178158902.9 242317221.6 201007797.2 234939736.9 242990827.1 170743875.2 252869514.3 232742665.8 226240692.2 234385569.9 222051145.2 254745476.2 259594295.8 236127710 245312825.5 250497451.5 290901223 276199329.6 253717644.8 292731761.6 S-allylcysteine 1317654.08 255018.8847 1274694.687 1403075.019 843395.1094 1469597.735 1172990.937 1499005.358 222408.7738 490336.9043 6404829.924 7809938.654 5530889.357 4279336.311 5416461.261 1560521.699 2688889.238 4952736.186 2298985.357 1653592.176 7330890.477 8921511.612 6738185.169 8955726.871 7644633.757 6624674.16 4760765.813 11049334.31 7303105.027 7191513.033 sarcosine 17291921.5 11519855.44 18659257.9 18382419.82 15339535.1 17513793.08 15848495.37 16602954.84 13812960.35 14592356.12 14229212.66 9974892.417 10358716 8670171.066 13644718.71 15832154.92 16487876.99 21931124.19 11178471.45 16466692.47 18782031.76 18153408.69 27286851.71 23665823.09 29295038.19 19825924.73 10690509.02 12027464.2 11132511.34 12407088.35 sedoheptulose 7-phosphate 7568066.885 6400890.338 8030714.388 8704637.657 8108547.314 8649020.854 8496479.48 9666851.196 8610779.759 8069552.067 5997930.301 6652021.685 7104282.457 7063427.477 6495779.368 5499574.778 6302222.721 6415523.605 6137560.424 6646997.698 6837386.728 8040685.736 8714227.962 8805573.891 8791257.09 7131987.207 7638881.751 8240330.59 7341571.864 8232184.697 serine 63078403.29 49343290.55 68447556.04 75713406.42 68300584.1 75399029.19 65616725.29 85754750.23 71574336.82 63847221.38 180595521.3 166980408.3 191680574.5 188548044.5 151018891.3 177259435.8 145042843.9 201585109.4 185728343.4 166443572.4 168326682.7 139278493.6 200949699.9 211164287.4 193195569.7 193923186.2 158847939.4 221136129.6 198152301 200141600.8 Serylalanine 14464290.1 9485087.583 14665893.41 18133072.05 15802933.5 16137561.22 15703981.22 18725886.94 17892213.85 13635287.81 8362068.293 11156078.63 9568520.859 10810087.53 11433360.32 7082289.436 11122967.56 12067280.2 10237770.49 11411623.05 6287065.175 5916596.84 7245768.175 7909183.326 8005560.377 8624626.917 7643506.447 9865297.756 7951843.168 8977456.623 sphinganine 23095289.37 42384047.93 22593033.37 21949605.01 23101878.62 17940413.54 24450443.67 17539440.62 19510334.44 26121984.04 13862686.8 14822548.33 14567891.93 14557733.66 12857644.78 13131897.51 12151214.48 14915417.99 14707480.16 16223357.64 11379515.16 8328668.34 12262624.36 13039536.08 16933696.75 12698581.61 12360435.33 11975570.67 10262552.88 13731046.12 stearate 135091840.8 99974799.81 97564310.53 149980415.9 106319790.4 137832538.7 55376438.94 70884741.24 85879190.96 69814841.03 291391125.5 206809550.2 350342553 295812203.7 90768819.9 359165101.4 77319285.37 292552461 139593259 327323966.9 111653439.9 251329328.6 270696937.4 276291775.8 376730045 122760708.6 99037199.34 118816520.2 149885739.7 125901189.5 stearoylethanolamide 5187584.457 7760631.566 6246928.246 5634534.345 5781066.633 4149549.521 6822347.538 5189508.28 5824433.508 7807042.783 3932019.379 4381510.904 3627578.407 4077329.828 4477595.124 3553913.641 4515073.575 4601914.136 3920695.039 4961538.1 3702562.204 3676933.686 4252808.91 4396989.409 5090417.287 4456051.45 4364777.501 4499966.268 3669876.341 4538910.813 succinate 75914049.23 92813373.08 95306457.24 74248868.22 87835583.76 73626159.73 134199018.1 94995736.37 126955200 181492858.4 98850286.73 219522560.9 125634490.5 167423643.2 221980172.5 59692019.9 190580883.2 147935613.4 125066371.2 179875980.8 143380052.7 192154173.6 156118026.9 164798438.6 174007691.9 170664795.7 213548056.4 185012295.8 153908318.4 204241086.7 targinine 989940.4983 767547.2614 1235918.825 1082000.25 1126058.175 874476.5761 970213.254 1084896.29 1035357.548 935386.297 784171.9178 1386032.097 1015327.999 1289637.538 1570619.945 611984.1309 1419632.065 1297608.336 1117178.384 1360056.567 658427.0461 887037.9472 727750.5467 791952.9042 833035.469 828475.7603 948783.0889 857703.1744 692277.4753 936515.9979 taurine 452527664.4 429716500.9 539208701.3 521785377.7 505344792.7 505886728.4 521121862.8 564784549.4 543596007.6 529023991.7 684470700.6 644273848.7 738844189.6 697173123.8 631084561.2 638037625.6 598853738 684060084.4 657365462.3 628156216.8 612622621.6 630850985.5 687833336 695224719.6 675398878.8 665306234.4 662190548.3 722782381.2 660794628.4 721995215 threonine 1382772824 1077416902 1495280809 1526480590 1438120273 1440682726 1357892715 1588390507 1402094547 1269939956 1474687939 1818388826 1575007357 1694490897 1915213754 1242873773 1777023440 1792593151 1623602736 1780503256 1184239104 1173303975 1304330775 1354712481 1379550296 1374472739 1313243534 1375052215 1324352991 1442015879 Threoninyl-Glutamine 3964548.085 1659137.607 3976134.488 5733457.63 3952707.105 5896518.514 3079248.493 6078025.439 3764371.391 1774361.741 12322362.57 13979872.02 14985105.11 14916722.19 10445669.22 11020412.72 9856463.995 14365109.76 14581142.06 11161773.77 6376287.347 5083331.126 7674196.424 9166270.662 7872521.924 9497149.758 8726374.115 12314735.02 10718615.23 11190947.03 Threoninyl-Leucine 3774123.033 2483949.631 3548828.067 5202245.919 4451614.868 4712869.461 4127921.896 4979679.116 4765485.666 3850189.66 6038838.146 9453179.003 8389686.86 9010517.886 6616981.767 4399632.354 6069880.451 6863476.796 6733298.159 5770058.957 2881504.952 3655676.159 2874148.86 3455747.009 3416348.9 3082603.752 5810520.366 6578386.126 4514357.618 5898530.894 Threoninyl-Serine 4244942.657 2386507.377 3641726.977 5530258.755 4410729.527 5297191.642 4624563.746 6054639.882 4685023.897 3755099.034 4139719.367 5277711.043 5249052.067 5376223.539 4638592.06 3251207.562 3931920.302 5006172.938 4357649.731 4336166.686 2254526.378 2300790.934 2659783.56 3002851.798 2885894.23 3015843.019 3167333.753 4209225.683 3022345.972 3710342.353 Tiglylcarnitine 2593734.004 1936183.971 2921167.121 2897760.701 3060451.889 2765655.93 3691131.388 3299637.225 3208928.429 2906551.579 7766818.694 6959720.929 7969545.034 8704702.87 5883892.645 6530625.041 6525408.995 7844512.371 7171504.316 6738891.841 934527.9461 969312.4575 1293887.628 1329367.384 1339310.458 1160538.401 1277868.059 1491684.329 1339316.833 1597584.986 tryptophan 584531778.1 363609690.4 631419443 712372044.8 598014174.1 679766416 589191178.5 746581937.5 581706550.6 495334426 536614575.2 718043372 623373095.8 637814079.7 640628837.9 427309540.6 549124026.6 632889399 585126584.7 543474441.9 285362573.8 296846598.5 323157197.2 367233665.7 344883942.7 336297802.3 342884453.9 409679451.4 345733317 387145819.3 tyrosine 1346525336 888210999.4 1323786896 1650140862 1407479993 1571985295 1331469242 1680205933 1405464381 1115555762 1580357493 1874434173 1848646128 1831987607 1700795775 1326196092 1499449892 1732992226 1649263018 1542671826 871241890.7 885033921.1 1024391837 1137791608 1055226862 1014471506 1039403258 1251096185 1081999336 1193835596 UDP 39087334.77 31666917.53 48015980.26 42892601.12 37928117 44485480 56348029.98 51977161.97 48318348.94 54091200.67 36958185.99 44491722.9 42173550.74 41774779.18 36928994.84 28433007.47 37224025.88 36083763.08 35431329.77 38113284.96 41858786.39 39787719.6 40869644 47205367.79 51541134.99 50394890.33 61261495.05 62283351.74 50620707.45 61297220.26 UDP-GlcNAc 298886572 243036893.8 344551495.3 352166838.4 318775597 330518961 387949330.1 389229104.9 382931604.7 413362984.8 273652987.8 369978744.3 328865052.9 318882587.5 332256017 273010788.7 348207995.3 325724559 322098431 349225453.4 311955480.7 335396339.5 353644563.7 399697144.5 379795736 381125716.2 407867035.3 435245597.6 394870961.6 444118156.8 UDP-glucose 146115423.7 139083822.2 169585168.7 154697710.6 155111985.4 153088647.7 181727948.2 176772345.3 169711853.4 199578655.1 98699805.45 135098407.1 121214710.1 122606252.2 129478014.4 77584222.28 116788808.9 113884403.5 103812816.3 122708603.3 125071120.3 131777636.5 141545058.9 149142889.9 154498750.9 135992932.7 140142316.9 142106787 124294603.2 150973783.5 UDP-glucuronate 12862901.65 7394624.624 23531062.23 16428496.18 11009429.49 19861956.04 21406399.27 25198243.73 18458874.65 20027457.23 65929830.03 101088119.6 92412998.47 73502223.73 61723299.97 25637834.04 52907411.58 53018757.26 52229909.52 44708082.83 61941234.79 83201406.28 39500134.77 59736250.42 66328114.01 72764131.68 126248512.7 101248848.4 76113791.91 115052379.1 UMP 15754340.59 15753144.27 14036246.33 19791041.94 18535991.66 14041213.14 21697253.53 17508642.79 16752673.57 19488268.31 12365947.48 16482174.72 13248573.36 15463718.61 15479607.35 11480211.28 13384425.04 12646760.73 15430690.57 16006944.82 11301032 11591916.75 12155662.07 14677530.47 14232933.82 13110943.65 14646823.18 13677949.23 13843601.21 15843689.41 uracil 1846953.211 2278238.191 2048462.257 1852468.753 2291729.328 1881232.502 2645304.39 2179343.215 2525579.477 2966800.897 1692901.082 2141819.028 2021672.348 2136508.791 1984741.981 1348714.884 1794956.561 1788880.737 1809169.115 1698880.665 1354198.535 1679420.011 1615244.074 1610129.98 1648376.969 1467734.944 1655285.252 1793336.087 1493334.564 1880622.069 urate 537207.5593 879308.1296 1642726.688 762581.0207 951380.6047 744248.6876 951754.2289 784063.4614 794732.3817 993977.4844 433739.4114 818165.7173 782894.5733 715674.3319 1019511.107 199349.4671 1248876.838 817781.0108 1229860.66 1080858.968 2135348.851 3504751.644 1528164.787 1141422.018 1886084.505 1768934.099 2499693.196 1201024.353 767544.7521 2187681.169 uridine 1827618.412 1802969.936 2223341.72 2129705.555 2319453.282 1672721.747 2089648.308 1976739.169 2145244.312 2461976.21 1760954.153 1595927.884 1945764.482 1891951.311 1225426.674 1627648.606 1319403.071 1681665.239 1985292.633 1426122.045 1229960.58 1005697.364 1428785.919 1564093.846 1352337.667 1438007.158 1405849.219 1557912.015 1315583.809 1627450.836 urocanate 13974441.43 902281.5773 16424566.62 3331440.537 3239617.244 1707884.547 1435598.557 1423975.294 1492313.168 2662052.859 1970376.705 9245047.177 3225883.226 6041505.588 4090146.445 5023451.172 4079255.577 2941846.52 2420214.675 4078843.177 2383699.424 1812520.132 2240478.74 2106651.184 2932355.489 3081560.471 1991287.717 3765562.748 4108663.891 1853170.338 valine 1547652387 1034453461 1715417055 1865728211 1620047648 1763291059 1520026486 1963657848 1600429927 1284482897 1678955130 2176641063 1944887089 2056602517 2037960038 1411563567 1845071479 1980572127 1880899399 1871259594 1065872774 1121118650 1234656357 1293824308 1280996086 1261663411 1321399972 1521564581 1290925440 1486471154 Valyl-Valine 1249299.328 907876.4568 1317501.601 1255203.678 1328987.447 1284992.854 1500905.319 1385665.015 1344448.967 1327801.662 2229284.961 3134484.458 3240895.861 2678176.856 2217380.991 1760357.77 1839381.848 2328430.55 2591586.485 2208871.435 1743046.096 1238253.637 1810451.894 1670089.06 1806154.52 1319634.66 1995397.571 2471271.564 2945675.993 2149510.028 xanthine 4474543.387 4284917.292 6069534.765 5204834.257 5348815.066 4689407.294 5581654.227 5648168.14 5965716.73 5518647.732 4008748.012 6985562.93 5459639.416 6790066.978 7486609.445 3605705.483 8142082.328 6467018.88 5865870.074 7428695.559 5392960.874 6619693.731 6076812.223 6080705.424 6047425.634 5837120.127 6752566.475 6755369.566 5919254.781 7428727.241 xanthosine monophosphate 222687.8274 119925.932 302813.2635 165857.1339 184005.5736 227453.3606 329149.6548 260258.326 227161.7359 289231.7291 324500.1295 532592.6328 446284.9686 384537.4867 406958.9059 79206.74599 375249.3924 317635.7949 340218.8946 365353.0643 437838.0785 769870.0163 400208.7864 443018.1599 512024.2183 407084.8095 542986.1315 463024.4699 266356.7666 486035.8752 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB_ID FORMULA KEGG_ID CAS (R)C(S)S-alliin HMDB0033592 C6H11NO3S C08265 556-27-4 12,13-DiHOME HMDB0004705 C18H34O4 C14829 7293-40-5 1-methyladenosine HMDB0003331 C11H15N5O4 C02494 15763-06-1 1-methylhistidine HMDB0000001 C7H11N3O2 C01152 332-80-9 1-methylnicotinamide HMDB0000699 C7H9N2O C02918 1005-24-9 2/3-phosphoglycerate HMDB0000807 C3H7O7P C00597 820-11-1 2-aminoheptanoate HMDB0094649 C7H15NO2 44902-02-5 2-hydroxyglutarate HMDB0059655 C5H8O5 C02630 2889-31-8 2-methyl-3-hydroxybutyrate HMDB0000354 C5H10O3 141015 473-86-9 2-oxoglutarate HMDB0000208 C5H6O5 C00026 328-50-7 3-methylhistidine HMDB0000479 C7H11N3O2 C01152 368-16-1 3-phosphoserine HMDB0000272 C3H8NO6P C01005 407-41-0 4-aminobutyrate HMDB0000112 C4H9NO2 C00334 56-12-2 4-hydroxyphenylpyruvate HMDB0000707 C9H8O4 C01179 156-39-8 4-hydroxyproline HMDB0006055 C5H9NO3 C01015 618-27-9 4-imidazolone-5-propionate HMDB0001014 C6H8N2O3 C03680 17340-16-8 4-pyridoxate HMDB0000017 C8H9NO4 C00847 82-82-6 5-hydroxyindoleacetate HMDB0000763 C10H9NO3 C05635 54-16-0 5-methylcytidine HMDB0000982 C10H15N3O5 2140-61-6 acetylcarnitine HMDB0000201 C9H17NO4 C02571 3040-38-8 acetyl-CoA HMDB0001206 C23H38N7O17P3S C00024 72-89-9 aconitate HMDB0000072 C6H6O6 C00417 585-84-2 acrylate HMDB0031647 C3H4O2 C00511 79-10-7 adenosine HMDB0000050 C10H13N5O4 C00212 58-61-7 ADP HMDB0001341 C10H15N5O10P2 C00008 58-64-0 ADP-ribose HMDB0001178 C15H23N5O14P2 C00301 20762-30-5 Alanine HMDB0000161 C3H7NO2 C00041 56-41-7 Alanyl-Glutamine HMDB0028685 C8H15N3O4 39537-23-0 Alanylisoleucine HMDB0028690 C9H18N2O3 29727-65-9 allantoin HMDB0000462 C4H6N4O3 C01551 97-59-6 AMP HMDB0000045 C10H14N5O7P C00020 61-19-8 anserine HMDB0000194 C10H16N4O3 C01262 584-85-0 arachidonate HMDB0001043 C20H32O2 C00219 506-32-1 arginine HMDB0000517 C6H14N4O2 C00062 1119-34-2 argininosuccinate HMDB0000052 C10H18N4O6 C03406 2387-71-5 asparagine HMDB0000168 C4H8N2O3 C00152 70-47-3 aspartate HMDB0000191 C4H7NO4 C16433 56-84-8 ATP HMDB0000538 C10H16N5O13P3 C00002 34369-07-8 benzaldehyde HMDB0006115 C7H6O C00261 100-52-7 beta-alanine HMDB0000056 C3H7NO2 C00099 107-95-9 beta-aspartyl-glycine HMDB0011165 C6H10N2O5 3790-52-1 betaine HMDB0000043 C5H11NO2 C00719 107-43-7 bis(2-ethylhexyl)phthalate HMDB0249243 C24H38O4 C03690 117-81-7 C3-Carnitine HMDB0000824 C10H19NO4 C03017 20064-19-1 C4-Carnitine HMDB0002013 C11H21NO4 C02862 25576-40-3 C5-carnitine HMDB0013128 C12H23NO4 40225-14-7 carnosine HMDB0000033 C9H14N4O3 C00386 305-84-0 Choline HMDB0000097 C5H14NO C00114 123-41-1 cinnamate HMDB0040286 C16H14O2 103-41-3 citicoline HMDB0001413 C14H26N4O11P2 C00307 987-78-0 citrulline HMDB0000904 C6H13N3O3 C00327 372-75-8 CMP-N-Acetylneuraminate HMDB0001176 C20H31N4O16P C00128 3063-71-6 Coenzyme A HMDB0001423 C21H36N7O16P3S C00010 85-61-0 creatine HMDB0000064 C4H9N3O2 C00300 57-00-1 creatinine HMDB0000562 C4H7N3O C00791 60-27-5 cyclic ADP-ribose HMDB0249529 C15H21N5O13P2 C13050 119340-53-3 cyclic AMP HMDB0000058 C10H12N5O6P C00575 60-92-4 cystathionine HMDB0000099 C7H14N2O4S C02291 56-88-2 cysteinylglycine HMDB0000078 C5H10N2O3S C01419 19246-18-5 cystine HMDB0000192 C6H12N2O4S2 C01420 56-89-3 cytidine HMDB0000089 C9H13N3O5 C00475 65-46-3 cytidine monophosphate HMDB0000095 C9H14N3O8P C00055 63-37-6 cytosine HMDB0000630 C4H5N3O C00380 71-30-7 deoxycholate HMDB0000626 C24H40O4 C04483 83-44-3 deoxycytidine HMDB0000014 C9H13N3O4 C00881 951-77-9 dethiobiotin HMDB0003581 C10H18N2O3 C01909 533-48-2 didecyldimethylammonium NA " C22H48ClN" 7173-51-5 diethanolamine HMDB0004437 C4H11NO2 C06772 111-42-2 dihydrobiopterin HMDB0000038 C9H13N5O3 C02953 6779-87-9 dihydroorotate HMDB0003349 C5H6N2O4 C00337 5988-19-2 dihydroxyacetone phosphate HMDB0001473 C3H7O6P C00111 57-04-5 dodecyl sulfate " HMDB0030452" C17H26N8O5 C02010 2079-00-7 erythritol HMDB0002994 C4H10O4 C00503 149-32-6 erythronate/threonate HMDB0000613 C4H8O5 13752-84-6 FAD HMDB0001248 C27H33N9O15P2 C00016 146-14-5 fructose 6-phosphate HMDB0000124 C6H13O9P C00085 643-13-0 fumarate HMDB0000134 C4H4O4 C00122 110-17-8 gamma-glutamylcysteine HMDB0001049 C8H14N2O5S C00669 636-58-8 gamma-glutamylglutamate HMDB0011737 C10H16N2O7 C05282 1116-22-9 gamma-glutamylglycine HMDB0011667 C7H12N2O5 1948-29-4 gamma-glutamylhistidine HMDB0029151 C11H16N4O5 37460-15-4 gamma-glutamylleucine HMDB0011171 C11H20N2O5 2566-39-4 gamma-glutamylvaline HMDB0011172 C10H18N2O5 2746-34-1 GDP HMDB0001201 C10H15N5O11P2 C00035 146-91-8 GDP-fucose HMDB0001095 C16H25N5O15P2 C00325 15839-70-0 GDP-hexose HMDB0001163 C16H25N5O16P2 C00096 3123-67-9 glucose HMDB0003345 C6H12O6 C00267 492-62-6 glucose 6-phosphate HMDB0001401 C6H13O9P C00092 56-73-5 glucuronate HMDB0000127 C6H10O7 C00191 70021-34-0 glutamate HMDB0000148 C5H9NO4 C00025 56-86-0 glutamine HMDB0000641 C5H10N2O3 C00064 56-85-9 glutathione reduced HMDB0000125 C10H17N3O6S C00051 70-18-8 glyceraldehyde 3-phosphate HMDB0001112 C3H7O6P C00661 591-59-3 glycerol 2-phosphate HMDB0002520 C3H9O6P C02979 17181-54-3 glycerol 3-phosphate HMDB0000126 C3H9O6P C00093 57-03-4 glycerophosphocholine HMDB0000086 C8H20NO6P C00670 28319-77-9 Glycine HMDB0000123 C2H5NO2 C00037 56-40-6 Glycyl-Aspartate HMDB0028837 C6H10N2O5 79731-35-4 Glycyl-Glutamate HMDB0028840 C7H12N2O5 7412-78-4 Glycyl-Proline HMDB0000721 C7H12N2O3 704-15-4 Glycyl-Serine HMDB0028850 C5H10N2O4 2789-31-3 GMP HMDB0001397 C10H14N5O8P C00144 85-32-5 guanosine HMDB0000133 C10H13N5O5 C00387 118-00-3 hexadecanoylcarnitine HMDB0000222 C23H45NO4 C02990 2364-67-2 hexanoate HMDB0000535 C6H12O2 C01585 142-62-1 hexanoylcarnitine HMDB0000756 C13H25NO4 22671-29-0 hexitol HMDB0000765 C6H14O6 C00392 69-65-8 hexosamine phosphates HMDB0001254 C6H14NO8P C00352 55722-81-1 histidine HMDB0000177 C6H9N3O2 C00135 71-00-1 Histidinyl-Isoleucine HMDB0028888 C12H20N4O3 129050-48-2 Histidinyl-Valine HMDB0028898 C11H18N4O3 76019-15-3 homoarginine HMDB0000670 C7H16N4O2 C01924 156-86-5 homocitrulline HMDB0000679 C7H15N3O3 C02427 1190-49-4 hydroquinone HMDB0002434 C6H6O2 C00530 123-31-9 hydroxybutyrylcarnitine HMDB0013127 C11H21NO5 1469900-92-2 hydroxyphenyllactate HMDB0029232 C9H10O4 NA hypotaurine HMDB0000965 C2H7NO2S C00519 300-84-5 hypoxanthine HMDB0000157 C5H4N4O C00262 68-94-0 IMP HMDB0000175 C10H13N4O8P C00130 131-99-7 Indole-3-acrylate HMDB0000734 C11H9NO2 29953-71-7 Indole-3-aldehyde HMDB0029737 C9H7NO C08493 487-89-8 Indole-3-lactate HMDB0000671 C11H11NO3 C02043 1821-52-9 Indole-3-propionate HMDB0002302 C11H11NO2 830-96-6 inosine HMDB0000195 C10H12N4O5 C00294 58-63-9 inositol HMDB0240209 C6H12O6 C19891 643-12-9 isoleucine HMDB0000172 C6H13NO2 C00407 73-32-5 ketoleucine HMDB0000695 C6H10O3 C00233 816-66-0 ketovaline HMDB0000019 C5H8O3 C00141 759-05-7 kynurenine HMDB0000684 C10H12N2O3 C00328 2922-83-0 lactate HMDB0000190 C3H6O3 C01432 79-33-4 L-Cartinine HMDB0000062 C7H15NO3 C00318 541-15-1 leucine HMDB0000687 C6H13NO2 C00123 328-39-2 Leucyl-Glycine HMDB0028929 C8H16N2O3 686-50-0 Leucyl-Proline HMDB0011175 C11H20N2O3 6403-35-6 Leucyl-Serine HMDB0028938 C9H18N2O4 6209-12-7 Leucyl-Valine HMDB0028942 C11H22N2O3 35436-83-0 linoleate HMDB0000673 C18H32O2 C01595 60-33-3 lysine HMDB0000182 C6H14N2O2 C00047 56-87-1 malate HMDB0031518 C4H6O5 C00497 636-61-3 methionine HMDB0000696 C5H11NO2S C00073 63-68-3 methionine sulfone HMDB0062174 C5H11NO4S 7314-32-1 methionine sulfoxide HMDB0002005 C5H11NO3S C02989 3226-65-1 methylimidazoleacetate HMDB0002820 C6H8N2O2 C05828 2625-49-2 methylthioadenosine HMDB0001173 C11H15N5O3S C00170 2457-80-9 myristate HMDB0000806 C14H28O2 C06424 544-63-8 myristoylcarnitine HMDB0005066 C21H41NO4 25597-07-3 N,N-dimethylarginine HMDB0001539 C8H18N4O2 C03626 30315-93-6 N2-Acetylornithine HMDB0003357 C7H14N2O3 C00437 6205-08-9 N2-gamma-Glutamylglutamine HMDB0011738 C10H17N3O6 C05283 10148-81-9 N6,N6,N6-trimethyllysine HMDB0001325 C9H20N2O2 C03793 19253-88-4 N6-acetyllysine HMDB0000206 C8H16N2O3 C02727 692-04-6 N6-methyllysine HMDB0002038 C7H16N2O2 C02728 1188-07-4 N-acetylalanine HMDB0000766 C5H9NO3 97-69-8 N-acetylaspartate HMDB0000812 C6H9NO5 C01042 997-55-7 N-acetylaspartylglutamate HMDB0001067 C11H16N2O8 C12270 3106-85-2 N-acetylglucosamine HMDB0000803 C8H15NO6 C03878 14131-68-1 N-acetylglutamate HMDB0001138 C7H11NO5 C00624 1188-37-0 N-acetylglutamine HMDB0006029 C7H12N2O4 2490-97-3 N-acetylhistidine HMDB0032055 C8H11N3O3 C02997 2497-02-1 N-acetylleucine HMDB0011756 C8H15NO3 C02710 1188-21-2 N-acetylmethionine HMDB0011745 C7H13NO3S C02712 65-82-7 N-acetylneuraminate HMDB0000230 C11H19NO9 C00270 131-48-6 N-acetylputrescine HMDB0002064 C6H14N2O C02714 18233-70-0 N-acetylserine HMDB0002931 C5H9NO4 97-14-3 N-acetylthreonine HMDB0062557 C6H11NO4 17093-74-2 NAD HMDB0000902 C21H27N7O14P2 C00003 53-84-9 NADH HMDB0001487 C21H29N7O14P2 C00004 58-68-4 NADP HMDB0000217 C21H28N7O17P3 C00006 53-59-8 NADPH HMDB0000221 C21H30N7O17P3 C00005 53-57-6 N-alpha-acetyllysine HMDB0000446 C8H16N2O3 C12989 1946-82-3 N-carbamoylaspartate HMDB0000828 C5H8N2O5 C00438 13184-27-5 nervonate HMDB0002368 C24H46O2 C08323 506-37-6 nicotinamide HMDB0001406 C6H6N2O C00153 98-92-0 oleate HMDB0000207 C18H34O2 C00712 112-80-1 ophthalmate HMDB0005765 C11H19N3O6 C21016 495-27-2 ornithine HMDB0000214 C5H12N2O2 C00077 3184-13-2 orotate HMDB0000226 C5H4N2O4 C00295 65-86-1 oxalate HMDB0002329 C2H2O4 C00209 6153-56-6 oxidized glutathione HMDB0003337 C20H32N6O12S2 C00127 27025-41-8 palmitate HMDB0000220 C16H32O2 C00249 57-10-3 palmitoleate HMDB0003229 C16H30O2 C08362 373-49-9 palmitoyl sphingomyelin HMDB0001348 C41H83N2O6P 58909-84-5 palmitoylethanolamide HMDB0002100 C18H37NO2 C16512 544-31-0 pantothenate HMDB0000210 C9H17NO5 C00864 137-08-6 pentitol HMDB0000508 C5H12O5 C00474 488-81-3 pentose phosphate HMDB0001548 C5H11O8P C00117 4300-28-1 phenylalanine HMDB0000159 C9H11NO2 C02057 63-91-2 phenylalanylalanine HMDB0028988 C12H16N2O3 3918-87-4 phenylalanylproline HMDB0011177 C14H18N2O3 7669-65-0 phosphocreatine HMDB0001511 C4H10N3O5P C02305 67-07-2 phosphoenolpyruvate HMDB0000263 C3H5O6P C00074 138-08-9 phosphorylcholine HMDB0001565 C5H14NO4P C00588 3616-04-4 proline HMDB0000162 C5H9NO2 C16435 147-85-3 Prolyl-Alanine HMDB0029010 C8H14N2O3 6422-36-2 pseudouridine HMDB0000767 C9H12N2O6 C02067 1445-07-4 pyridoxal HMDB0001545 C8H9NO3 C00250 65-22-5 pyridoxine HMDB0000239 C8H11NO3 C00314 65-23-6 pyroglutamate HMDB0000267 C5H7NO3 C01879 98-79-3 pyruvate HMDB0000243 C3H4O3 C00022 127-17-3 quinoline HMDB0033731 C9H7N C06413 91-22-5 riboflavin HMDB0000244 C17H20N4O6 C00255 83-88-5 Ribothymidine HMDB0000884 C10H14N2O6 1463-10-1 S-(2-succinyl)cysteine NA C7H11NO6S 547764-73-8 S-adenosylhomocysteine HMDB0000939 C14H20N6O5S C00021 979-92-0 S-adenosylmethionine HMDB0001185 C15H22N6O5S C00019 485-80-3 S-allylcysteine HMDB0034323 C6H11NO2S C16759 21593-77-1 sarcosine HMDB0000271 C3H7NO2 C00213 107-97-1 sedoheptulose 7-phosphate HMDB0258206 C7H15O10P C05382 2646-35-7 serine HMDB0029032 C6H12N2O4 6403-17-4 Serylalanine HMDB0000187 C3H7NO3 C00065 56-45-1 sphinganine HMDB0000269 C18H39NO2 C00836 764-22-7 stearate HMDB0000827 C18H36O2 C01530 57-11-4 stearoylethanolamide HMDB0013078 C20H41NO2 111-57-9 succinate HMDB0000254 C4H6O4 C00042 110-15-6 targinine HMDB0029416 C7H16N4O2 C03884 17035-90-4 taurine HMDB0000251 C2H7NO3S C00245 107-35-7 threonine HMDB0000167 C4H9NO3 C00188 72-19-5 Threoninyl-Glutamine HMDB0029059 C9H17N3O5 96337-79-0 Threoninyl-Leucine HMDB0029065 C10H20N2O4 50299-12-2 Threoninyl-Serine HMDB0029070 C7H14N2O5 61043-86-5 Tiglylcarnitine HMDB0002366 C12H21NO4 64681-36-3 tryptophan HMDB0000929 C11H12N2O2 C00078 73-22-3 tyrosine HMDB0000158 C9H11NO3 C01536 60-18-4 UDP HMDB0000295 C9H14N2O12P2 C00015 58-98-0 UDP-GlcNAc HMDB0000290 C17H27N3O17P2 C00043 528-04-1 UDP-glucose HMDB0000286 C15H24N2O17P2 C00029 133-89-1 UDP-glucuronate HMDB0000935 C15H22N2O18P2 C00167 2616-64-0 UMP HMDB0000288 C9H13N2O9P C00105 58-97-9 uracil HMDB0000300 C4H4N2O2 C00106 66-22-8 urate HMDB0000289 C5H4N4O3 C00366 69-93-2 uridine HMDB0000296 C9H12N2O6 C00299 58-96-8 urocanate HMDB0000301 C6H6N2O2 C00785 104-98-3 valine HMDB0000883 C5H11NO2 C16436 72-18-4 Valyl-Valine HMDB0029140 C10H20N2O3 " 3918-94-3" xanthine HMDB0000292 C5H4N4O2 C00385 69-89-6 xanthosine monophosphate HMDB0001554 C10H13N4O9P C00655 523-98-8 METABOLITES_END #END